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

Formula:C21H20N3O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-bromo-N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	3-bromo-N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
MolecularFormula	C21H20N3O4Br
Smiles	[O-][N+](c1ccc(/C=C(/C(N2CCCCC2)=O)\NC(c2cccc(Br)c2)=O)cc1)=O
InChI	InChI=1S/C21H20BrN3O4/c22-17-6-4-5-16(14-17)20(26)23-19(21(27)24-11-2-1-3-12-24)13-15-7-9-18(10-8-15)25(28)29/h4-10,13-14H,1-3,11-12H2,(H,23,26)
InChIK	QVJMOQLKGSTHST-UHFFFAOYSA-N
TotalMolweight	458.311
Molweight	458.311
MonoisotopicMass	457.063718
CLogP	3.9182
CLogS	-5.254
H Acceptors	7
H Donors	1
TotalSurfaceArea	312.59
Relative PSA	0.22877
PolarSurfaceArea	95.23
Druglikeness	-3.2044
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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