(E)-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide

Formula:C24H15N2O5Cl Mutagenic:high Tumorigenic:high Reproductive Effective:high (E)-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide
MolecularFormula	C24H15N2O5Cl
Smiles	[O-][N+](c1cccc(/C=C/C(Nc(cc2)cc(Cl)c2C2=Cc(cccc3)c3OC2=O)=O)c1)=O
InChI	InChI=1S/C24H15ClN2O5/c25-21-14-17(26-23(28)11-8-15-4-3-6-18(12-15)27(30)31)9-10-19(21)20-13-16-5-1-2-7-22(16)32-24(20)29/h1-14H,(H,26,28)
InChIK	BATIPPSVZQUSCK-UHFFFAOYSA-N
TotalMolweight	446.845
Molweight	446.845
MonoisotopicMass	446.06695
CLogP	3.9137
CLogS	-6.405
H Acceptors	7
H Donors	1
TotalSurfaceArea	326.54
Relative PSA	0.23875
PolarSurfaceArea	101.22
Druglikeness	-4.3483
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.59375
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Amides	1
AcidicOxygens	1
StereoCon

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