PK7

1-(3-chloro-4-fluorophenyl)methanamine

Created:	2019-08-12
Last modified:	2020-10-07

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1 entries where PK7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	6

2D diagram of PK7

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Chemical Component Summary
Name	1-(3-chloro-4-fluorophenyl)methanamine
Systematic Name (OpenEye OEToolkits)	(3-chloranyl-4-fluoranyl-phenyl)methanamine
Formula	C₇ H₇ Cl F N
Molecular Weight	159.589
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(c1ccc(F)c(c1)Cl)N
SMILES	CACTVS	3.385	NCc1ccc(F)c(Cl)c1
SMILES	OpenEye OEToolkits	2.0.6	c1cc(c(cc1CN)Cl)F
Canonical SMILES	CACTVS	3.385	NCc1ccc(F)c(Cl)c1
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(c(cc1CN)Cl)F
InChI	InChI	1.03	InChI=1S/C7H7ClFN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H,4,10H2
InChIKey	InChI	1.03	LQAUXDMGRBWDIU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	144539

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.