![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
MLV : Summary
Code ![](/pdbe/static/images/help.png)
|
MLV
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
2-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C19 H15 F N2 O3 S
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
370.397 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
C(c1cccc(c1F)c2ccccc2)(NNS(=O)(c3ccccc3)=O)=O |
SMILES
|
CACTVS |
3.385 |
Fc1c(cccc1c2ccccc2)C(=O)NN[S](=O)(=O)c3ccccc3 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1ccc(cc1)c2cccc(c2F)C(=O)NNS(=O)(=O)c3ccccc3 |
Canonical SMILES
|
CACTVS |
3.385 |
Fc1c(cccc1c2ccccc2)C(=O)NN[S](=O)(=O)c3ccccc3 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1ccc(cc1)c2cccc(c2F)C(=O)NNS(=O)(=O)c3ccccc3 |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C19H15FN2O3S/c20-18-16(14-8-3-1-4-9-14)12-7-13-17(18)19(23)21-22-26(24,25)15-10-5-2-6-11-15/h1-13,22H,(H,21,23) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | DUTMMJVUYVOSEW-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
41 (26 without Hydrogen)
|
Polymer type ![](/pdbe/static/images/help.png)
|
Bound ligand
|
Type description ![](/pdbe/static/images/help.png)
|
NON-POLYMER
|
Type code ![](/pdbe/static/images/help.png)
|
HETAIN
|
Is modified ![](/pdbe/static/images/help.png)
|
No
|
Standard parent ![](/pdbe/static/images/help.png)
|
Not Assigned
|
Defined at ![](/pdbe/static/images/help.png)
|
2019-04-10
|
Last modified at ![](/pdbe/static/images/help.png)
|
2019-06-28
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|