3-chloro-N-[4-[[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]phenyl]benzamide

Formula:C22H16N3O3Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-chloro-N-[4-[[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]phenyl]benzamide is a drug-like molecule.

MolName	3-chloro-N-[4-[[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]phenyl]benzamide
MolecularFormula	C22H16N3O3Cl
Smiles	[O-][N+](c1cccc(/C=C/C=N/c(cc2)ccc2NC(c2cccc(Cl)c2)=O)c1)=O
InChI	InChI=1S/C22H16ClN3O3/c23-18-7-2-6-17(15-18)22(27)25-20-11-9-19(10-12-20)24-13-3-5-16-4-1-8-21(14-16)26(28)29/h1-15H,(H,25,27)
InChIK	UQYPKBYVCXWCGM-UHFFFAOYSA-N
TotalMolweight	405.84
Molweight	405.84
MonoisotopicMass	405.088019
CLogP	3.8836
CLogS	-6.158
H Acceptors	6
H Donors	1
TotalSurfaceArea	312.34
Relative PSA	0.21268
PolarSurfaceArea	87.28
Druglikeness	-3.5918
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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