N-[(E)-3-anilino-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide

Formula:C22H16N3O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-anilino-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide is a drug-like molecule.

MolName	N-[(E)-3-anilino-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
MolecularFormula	C22H16N3O4Cl
Smiles	[O-][N+](c1cccc(/C=C(\C(Nc2ccccc2)=O)/NC(c(cccc2)c2Cl)=O)c1)=O
InChI	InChI=1S/C22H16ClN3O4/c23-19-12-5-4-11-18(19)21(27)25-20(22(28)24-16-8-2-1-3-9-16)14-15-7-6-10-17(13-15)26(29)30/h1-14H,(H,24,28)(H,25,27)
InChIK	XXQDMDKZEKGMHU-UHFFFAOYSA-N
TotalMolweight	421.839
Molweight	421.839
MonoisotopicMass	421.082934
CLogP	4.1082
CLogS	-6.069
H Acceptors	7
H Donors	2
TotalSurfaceArea	315
Relative PSA	0.25213
PolarSurfaceArea	104.02
Druglikeness	-2.0587
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.43333
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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1 - N-[(E)-3-anilino-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide | 2 - N-[(E)-3-anilino-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide

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