9AN

2-(3-hydroxyphenyl)-3~{H}-quinazolin-4-one

Created:	2017-05-04
Last modified:	2018-03-14

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1 entries where 9AN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	12

2D diagram of 9AN

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Chemical Component Summary
Name	2-(3-hydroxyphenyl)-3~{H}-quinazolin-4-one
Systematic Name (OpenEye OEToolkits)	2-(3-hydroxyphenyl)-3~{H}-quinazolin-4-one
Formula	C₁₄ H₁₀ N₂ O₂
Molecular Weight	238.241
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Oc1cccc(c1)C2=Nc3ccccc3C(=O)N2
SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)C(=O)NC(=N2)c3cccc(c3)O
Canonical SMILES	CACTVS	3.385	Oc1cccc(c1)C2=Nc3ccccc3C(=O)N2
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)C(=O)NC(=N2)c3cccc(c3)O
InChI	InChI	1.03	InChI=1S/C14H10N2O2/c17-10-5-3-4-9(8-10)13-15-12-7-2-1-6-11(12)14(18)16-13/h1-8,17H,(H,15,16,18)
InChIKey	InChI	1.03	XMXQFRPDUIBGED-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	21353956, 135567246
ChEMBL	CHEMBL3289110

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