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LC9 : Summary
Code
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LC9
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One-letter code
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X
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Molecule name
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1H-indol-3-ylmethanamine
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Systematic names
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Formula
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C9 H10 N2
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Formal charge
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0
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Molecular weight
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146.189 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
NCc1c[nH]c2ccccc12 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1ccc2c(c1)c(c[nH]2)CN |
Canonical SMILES
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CACTVS |
3.385 |
NCc1c[nH]c2ccccc12 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
c1ccc2c(c1)c(c[nH]2)CN |
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IUPAC InChI | InChI=1S/C9H10N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5,10H2 |
IUPAC InChI key | JXYGLMATGAAIBU-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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21 (11 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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non-polymer
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2022-06-29
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Last modified at
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2023-06-30
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Status
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Released
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Obsoleted
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Not Assigned
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