(E)-1-[4-(4-benzoylpiperidin-1-yl)-3-nitrophenyl]-3-(4-chlorophenyl)prop-2-en-1-one

Formula:C27H23N2O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[4-(4-benzoylpiperidin-1-yl)-3-nitrophenyl]-3-(4-chlorophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[4-(4-benzoylpiperidin-1-yl)-3-nitrophenyl]-3-(4-chlorophenyl)prop-2-en-1-one
MolecularFormula	C27H23N2O4Cl
Smiles	[O-][N+](c(cc(cc1)C(/C=C/c(cc2)ccc2Cl)=O)c1N(CC1)CCC1C(c1ccccc1)=O)=O
InChI	InChI=1S/C27H23ClN2O4/c28-23-10-6-19(7-11-23)8-13-26(31)22-9-12-24(25(18-22)30(33)34)29-16-14-21(15-17-29)27(32)20-4-2-1-3-5-20/h1-13,18,21H,14-17H2
InChIK	UOMQZDNFNDKGBD-UHFFFAOYSA-N
TotalMolweight	474.943
Molweight	474.943
MonoisotopicMass	474.134635
CLogP	4.6441
CLogS	-7.504
H Acceptors	6
TotalSurfaceArea	358.21
Relative PSA	0.16764
PolarSurfaceArea	83.2
Druglikeness	0.16262
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.61765
Fragments	1
Non HAtoms	34
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
Symmetricatoms	6
Amines	1
Aromatic Amines	1
AcidicOxygens	1
StereoCon

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