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AVK : Summary
Code ![](/pdbe/static/images/help.png)
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AVK
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-(1~{H}-imidazol-2-yl)ethanamine
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C18 H18 Cl N3
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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311.809 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
Clc1cc(CNCCc2[nH]ccn2)ccc1c3ccccc3 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
c1ccc(cc1)c2ccc(cc2Cl)CNCCc3[nH]ccn3 |
Canonical SMILES
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CACTVS |
3.385 |
Clc1cc(CNCCc2[nH]ccn2)ccc1c3ccccc3 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
c1ccc(cc1)c2ccc(cc2Cl)CNCCc3[nH]ccn3 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C18H18ClN3/c19-17-12-14(13-20-9-8-18-21-10-11-22-18)6-7-16(17)15-4-2-1-3-5-15/h1-7,10-12,20H,8-9,13H2,(H,21,22) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | HVVNUZVTSIFMPM-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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40 (22 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2017-08-24
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Last modified at ![](/pdbe/static/images/help.png)
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2018-02-23
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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