OQC

[3-chloranyl-4-(furan-3-yl)phenyl]methanamine

Created:	2016-12-14
Last modified:	2017-05-24

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1 entries where OQC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	11

2D diagram of OQC

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Chemical Component Summary
Name	[3-chloranyl-4-(furan-3-yl)phenyl]methanamine
Systematic Name (OpenEye OEToolkits)	[3-chloranyl-4-(furan-3-yl)phenyl]methanamine
Formula	C₁₁ H₁₀ Cl N O
Molecular Weight	207.656
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NCc1ccc(c(Cl)c1)c2cocc2
SMILES	OpenEye OEToolkits	2.0.6	c1cc(c(cc1CN)Cl)c2ccoc2
Canonical SMILES	CACTVS	3.385	NCc1ccc(c(Cl)c1)c2cocc2
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(c(cc1CN)Cl)c2ccoc2
InChI	InChI	1.03	InChI=1S/C11H10ClNO/c12-11-5-8(6-13)1-2-10(11)9-3-4-14-7-9/h1-5,7H,6,13H2
InChIKey	InChI	1.03	QCBBLYZCXYKKFL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	108393810
ChEMBL	CHEMBL4116165

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.