C1M

1-(4-CHLOROPHENYL)-1H-TETRAZOLE

Created:	2005-12-08
Last modified:	2020-06-05

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1 entries where C1M is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	12

2D diagram of C1M

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Chemical Component Summary
Name	1-(4-CHLOROPHENYL)-1H-TETRAZOLE
Synonyms	INHIBITOR OF THROMBIN
Systematic Name (OpenEye OEToolkits)	1-(4-chlorophenyl)-1,2,3,4-tetrazole
Formula	C₇ H₅ Cl N₄
Molecular Weight	180.594
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1ccc(cc1)n2nnnc2
SMILES	CACTVS	3.352	Clc1ccc(cc1)n2cnnn2
SMILES	OpenEye OEToolkits	1.6.1	c1cc(ccc1n2cnnn2)Cl
Canonical SMILES	CACTVS	3.352	Clc1ccc(cc1)n2cnnn2
Canonical SMILES	OpenEye OEToolkits	1.6.1	c1cc(ccc1n2cnnn2)Cl
InChI	InChI	1.03	InChI=1S/C7H5ClN4/c8-6-1-3-7(4-2-6)12-5-9-10-11-12/h1-5H
InChIKey	InChI	1.03	FVXFXVKZUVWQGE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	270006
ChEMBL	CHEMBL440394
CCDC/CSD	ZAPJEH
COD	2234688

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