7V3

(S)-(4-chlorophenyl)-phenyl-methanamine

Created:	2017-01-12
Last modified:	2018-01-17

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1 entries where 7V3 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	1
Bond Count	28
Aromatic Bond Count	12

2D diagram of 7V3

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Chemical Component Summary
Name	(S)-(4-chlorophenyl)-phenyl-methanamine
Systematic Name (OpenEye OEToolkits)	(~{S})-(4-chlorophenyl)-phenyl-methanamine
Formula	C₁₃ H₁₂ Cl N
Molecular Weight	217.694
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	N[CH](c1ccccc1)c2ccc(Cl)cc2
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)C(c2ccc(cc2)Cl)N
Canonical SMILES	CACTVS	3.385	N[C@@H](c1ccccc1)c2ccc(Cl)cc2
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)[C@@H](c2ccc(cc2)Cl)N
InChI	InChI	1.03	InChI=1S/C13H12ClN/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13H,15H2/t13-/m0/s1
InChIKey	InChI	1.03	XAFODXGEQUOEKN-ZDUSSCGKSA-N

Related Resource References

Resource Name	Reference
PubChem	736032

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.