V7V

3-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]benzoic acid

Created:	2017-07-27
Last modified:	2018-01-10

Find Related PDB Entry
1 entries where V7V is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	17

2D diagram of V7V

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	3-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]benzoic acid
Systematic Name (OpenEye OEToolkits)	3-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]benzoic acid
Formula	C₁₄ H₁₀ N₄ O₂
Molecular Weight	266.255
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)c1cccc(c1)c2cccc(c2)c3[nH]nnn3
SMILES	OpenEye OEToolkits	2.0.6	c1cc(cc(c1)c2[nH]nnn2)c3cccc(c3)C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)c1cccc(c1)c2cccc(c2)c3[nH]nnn3
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(cc(c1)c2[nH]nnn2)c3cccc(c3)C(=O)O
InChI	InChI	1.03	InChI=1S/C14H10N4O2/c19-14(20)12-6-2-4-10(8-12)9-3-1-5-11(7-9)13-15-17-18-16-13/h1-8H,(H,19,20)(H,15,16,17,18)
InChIKey	InChI	1.03	KEZGIRGXOUGLEM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	131955104
ChEMBL	CHEMBL4162700

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.