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

Formula:C21H21N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
MolecularFormula	C21H21N3O4
Smiles	[O-][N+](c1ccc(/C=C(/C(N2CCCCC2)=O)\NC(c2ccccc2)=O)cc1)=O
InChI	InChI=1S/C21H21N3O4/c25-20(17-7-3-1-4-8-17)22-19(21(26)23-13-5-2-6-14-23)15-16-9-11-18(12-10-16)24(27)28/h1,3-4,7-12,15H,2,5-6,13-14H2,(H,22,25)
InChIK	QPNRUZBBVVGPGF-UHFFFAOYSA-N
TotalMolweight	379.415
Molweight	379.415
MonoisotopicMass	379.153207
CLogP	3.193
CLogS	-4.42
H Acceptors	7
H Donors	1
TotalSurfaceArea	293.96
Relative PSA	0.24326
PolarSurfaceArea	95.23
Druglikeness	-1.4144
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	6
Amides	2
AcidicOxygens	1
StereoCon

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