L43

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

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

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1 entries where L43 is found as a standalone ligand

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

2D diagram of L43

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Chemical Component Summary
Name	3-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]benzoic acid
Systematic Name (OpenEye OEToolkits)	3-[4-(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)c2ccc(cc2)c3[nH]nnn3
SMILES	OpenEye OEToolkits	2.0.6	c1cc(cc(c1)C(=O)O)c2ccc(cc2)c3[nH]nnn3
Canonical SMILES	CACTVS	3.385	OC(=O)c1cccc(c1)c2ccc(cc2)c3[nH]nnn3
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(cc(c1)C(=O)O)c2ccc(cc2)c3[nH]nnn3
InChI	InChI	1.03	InChI=1S/C14H10N4O2/c19-14(20)12-3-1-2-11(8-12)9-4-6-10(7-5-9)13-15-17-18-16-13/h1-8H,(H,19,20)(H,15,16,17,18)
InChIKey	InChI	1.03	RYTABHHTUFYVNQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	131955105
ChEMBL	CHEMBL4169967

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