3-[4-[[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]phenyl]chromen-2-one

Formula:C24H16N2O4 Mutagenic:high Tumorigenic:low Reproductive Effective:high 3-[4-[[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]phenyl]chromen-2-one is a drug-like molecule.

MolName	3-[4-[[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]phenyl]chromen-2-one
MolecularFormula	C24H16N2O4
Smiles	[O-][N+](c1cc(/C=C/C=N/c(cc2)ccc2C2=Cc(cccc3)c3OC2=O)ccc1)=O
InChI	InChI=1S/C24H16N2O4/c27-24-22(16-19-7-1-2-9-23(19)30-24)18-10-12-20(13-11-18)25-14-4-6-17-5-3-8-21(15-17)26(28)29/h1-16H
InChIK	JSIJUGHAMIFZRW-UHFFFAOYSA-N
TotalMolweight	396.401
Molweight	396.401
MonoisotopicMass	396.111008
CLogP	3.2231
CLogS	-5.621
H Acceptors	6
TotalSurfaceArea	306.67
Relative PSA	0.21186
PolarSurfaceArea	84.48
Druglikeness	-3.9618
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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