(E)-1-(4-cyclohexylphenyl)-3-(3-nitro-4-piperidin-1-ylphenyl)prop-2-en-1-one

Formula:C26H30N2O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(4-cyclohexylphenyl)-3-(3-nitro-4-piperidin-1-ylphenyl)prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-(4-cyclohexylphenyl)-3-(3-nitro-4-piperidin-1-ylphenyl)prop-2-en-1-one
MolecularFormula	C26H30N2O3
Smiles	[O-][N+](c(cc(/C=C/C(c1ccc(C2CCCCC2)cc1)=O)cc1)c1N1CCCCC1)=O
InChI	InChI=1S/C26H30N2O3/c29-26(23-13-11-22(12-14-23)21-7-3-1-4-8-21)16-10-20-9-15-24(25(19-20)28(30)31)27-17-5-2-6-18-27/h9-16,19,21H,1-8,17-18H2
InChIK	NZLVVVYDFJFVRT-UHFFFAOYSA-N
TotalMolweight	418.535
Molweight	418.535
MonoisotopicMass	418.225643
CLogP	5.352
CLogS	-7.059
H Acceptors	5
TotalSurfaceArea	334.34
Relative PSA	0.14061
PolarSurfaceArea	66.13
Druglikeness	-5.6495
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	13
Symmetricatoms	6
Amines	1
Aromatic Amines	1
AcidicOxygens	1
StereoCon

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