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

Formula:C27H25N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-nitro-N-[(Z)-3-oxo-1-(3-phenoxyphenyl)-3-piperidin-1-ylprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	4-nitro-N-[(Z)-3-oxo-1-(3-phenoxyphenyl)-3-piperidin-1-ylprop-1-en-2-yl]benzamide
MolecularFormula	C27H25N3O5
Smiles	[O-][N+](c(cc1)ccc1C(N/C(/C(N1CCCCC1)=O)=C\c1cc(Oc2ccccc2)ccc1)=O)=O
InChI	InChI=1S/C27H25N3O5/c31-26(21-12-14-22(15-13-21)30(33)34)28-25(27(32)29-16-5-2-6-17-29)19-20-8-7-11-24(18-20)35-23-9-3-1-4-10-23/h1,3-4,7-15,18-19H,2,5-6,16-17H2,(H,28,31)
InChIK	ZKAWVPTZMCPPBE-UHFFFAOYSA-N
TotalMolweight	471.511
Molweight	471.511
MonoisotopicMass	471.179422
CLogP	4.5886
CLogS	-6.717
H Acceptors	8
H Donors	1
TotalSurfaceArea	363.72
Relative PSA	0.2241
PolarSurfaceArea	104.46
Druglikeness	-1.459
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
Symmetricatoms	6
Amides	2
AcidicOxygens	1
StereoCon

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