N-[(E)-1-(4-nitrophenyl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide

Formula:C24H21N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-1-(4-nitrophenyl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(E)-1-(4-nitrophenyl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide
MolecularFormula	C24H21N3O4
Smiles	[O-][N+](c1ccc(/C=C(\C(NCCc2ccccc2)=O)/NC(c2ccccc2)=O)cc1)=O
InChI	InChI=1S/C24H21N3O4/c28-23(20-9-5-2-6-10-20)26-22(17-19-11-13-21(14-12-19)27(30)31)24(29)25-16-15-18-7-3-1-4-8-18/h1-14,17H,15-16H2,(H,25,29)(H,26,28)
InChIK	MIWCELHLXXHHJL-UHFFFAOYSA-N
TotalMolweight	415.448
Molweight	415.448
MonoisotopicMass	415.153207
CLogP	3.6417
CLogS	-5.261
H Acceptors	7
H Donors	2
TotalSurfaceArea	327.1
Relative PSA	0.2428
PolarSurfaceArea	104.02
Druglikeness	-1.56
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	6
Amides	2
AcidicOxygens	1
StereoCon

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