2-chloro-N-[3-[(E)-3-(4-cyclohexylphenyl)-3-oxoprop-1-enyl]phenyl]benzamide

Formula:C28H26NO2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-chloro-N-[3-[(E)-3-(4-cyclohexylphenyl)-3-oxoprop-1-enyl]phenyl]benzamide is not a drug-like molecule.

MolName	2-chloro-N-[3-[(E)-3-(4-cyclohexylphenyl)-3-oxoprop-1-enyl]phenyl]benzamide
MolecularFormula	C28H26NO2Cl
Smiles	O=C(/C=C/c1cccc(NC(c(cccc2)c2Cl)=O)c1)c1ccc(C2CCCCC2)cc1
InChI	InChI=1S/C28H26ClNO2/c29-26-12-5-4-11-25(26)28(32)30-24-10-6-7-20(19-24)13-18-27(31)23-16-14-22(15-17-23)21-8-2-1-3-9-21/h4-7,10-19,21H,1-3,8-9H2,(H,30,32)
InChIK	QJJLAWDQDJZGRS-UHFFFAOYSA-N
TotalMolweight	443.972
Molweight	443.972
MonoisotopicMass	443.165206
CLogP	7.1941
CLogS	-7.855
H Acceptors	3
H Donors	1
TotalSurfaceArea	349.46
Relative PSA	0.10742
PolarSurfaceArea	46.17
Druglikeness	-2.8285
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	4
Amides	1
StereoCon

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1 - 2-chloro-N-[3-[(E)-3-(4-cyclohexylphenyl)-3-oxoprop-1-enyl]phenyl]benzamide | 2 - 2-chloro-N-[3-[(E)-3-(4-cyclohexylphenyl)-3-oxoprop-1-enyl]phenyl]benzamide

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