2-[(E)-2-(5-chloro-2-hydroxy-3-nitrophenyl)ethenyl]-1H-quinolin-4-one

Formula:C17H11N2O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-(5-chloro-2-hydroxy-3-nitrophenyl)ethenyl]-1H-quinolin-4-one is a drug-like molecule.

MolName	2-[(E)-2-(5-chloro-2-hydroxy-3-nitrophenyl)ethenyl]-1H-quinolin-4-one
MolecularFormula	C17H11N2O4Cl
Smiles	[O-][N+](c(cc(cc1/C=C/C(Nc2c3cccc2)=CC3=O)Cl)c1O)=O
InChI	InChI=1S/C17H11ClN2O4/c18-11-7-10(17(22)15(8-11)20(23)24)5-6-12-9-16(21)13-3-1-2-4-14(13)19-12/h1-9,22H,(H,19,21)
InChIK	MMMNAXCVWHGUIA-UHFFFAOYSA-N
TotalMolweight	342.737
Molweight	342.737
MonoisotopicMass	342.040735
CLogP	2.6396
CLogS	-5.396
H Acceptors	6
H Donors	2
TotalSurfaceArea	245.38
Relative PSA	0.2772
PolarSurfaceArea	95.15
Druglikeness	-3.4867
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
AcidicOxygens	1
StereoCon

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