6-chloro-3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one

Formula:C24H15N2O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high 6-chloro-3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one is a drug-like molecule.

MolName	6-chloro-3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
MolecularFormula	C24H15N2O4Cl
Smiles	[O-][N+](c1ccc(/C=C/C(C2=C(c3ccccc3)c(cc(cc3)Cl)c3NC2=O)=O)cc1)=O
InChI	InChI=1S/C24H15ClN2O4/c25-17-9-12-20-19(14-17)22(16-4-2-1-3-5-16)23(24(29)26-20)21(28)13-8-15-6-10-18(11-7-15)27(30)31/h1-14H,(H,26,29)
InChIK	CUJOTAGGSCRGOE-UHFFFAOYSA-N
TotalMolweight	430.846
Molweight	430.846
MonoisotopicMass	430.072035
CLogP	3.7442
CLogS	-6.399
H Acceptors	6
H Donors	1
TotalSurfaceArea	314.75
Relative PSA	0.21592
PolarSurfaceArea	91.99
Druglikeness	-1.3575
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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