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

Formula:C20H19N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-1-(4-nitrophenyl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(E)-1-(4-nitrophenyl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide
MolecularFormula	C20H19N3O4
Smiles	[O-][N+](c1ccc(/C=C(\C(N2CCCC2)=O)/NC(c2ccccc2)=O)cc1)=O
InChI	InChI=1S/C20H19N3O4/c24-19(16-6-2-1-3-7-16)21-18(20(25)22-12-4-5-13-22)14-15-8-10-17(11-9-15)23(26)27/h1-3,6-11,14H,4-5,12-13H2,(H,21,24)
InChIK	LIHRATGSIMSCOY-UHFFFAOYSA-N
TotalMolweight	365.388
Molweight	365.388
MonoisotopicMass	365.137557
CLogP	2.851
CLogS	-4.15
H Acceptors	7
H Donors	1
TotalSurfaceArea	280.2
Relative PSA	0.25521
PolarSurfaceArea	95.23
Druglikeness	0.58001
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	6
Amides	2
AcidicOxygens	1
StereoCon

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