(E)-1-(4-cyclohexylphenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one

Formula:C29H27N3O Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(4-cyclohexylphenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-(4-cyclohexylphenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one
MolecularFormula	C29H27N3O
Smiles	O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cnccc1)c1ccc(C2CCCCC2)cc1
InChI	InChI=1S/C29H27N3O/c33-28(24-15-13-23(14-16-24)22-8-3-1-4-9-22)18-17-26-21-32(27-11-5-2-6-12-27)31-29(26)25-10-7-19-30-20-25/h2,5-7,10-22H,1,3-4,8-9H2
InChIK	QFICQXIMVRKLIZ-UHFFFAOYSA-N
TotalMolweight	433.553
Molweight	433.553
MonoisotopicMass	433.215412
CLogP	5.3587
CLogS	-6.325
H Acceptors	4
TotalSurfaceArea	351.31
Relative PSA	0.11913
PolarSurfaceArea	47.78
Druglikeness	-1.5916
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	6
Symmetricatoms	6
Aromatic Nitrogens	3
StereoCon

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