(Z)-2-(4-chlorophenyl)-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]prop-2-enenitrile

Formula:C30H22N3Cl Mutagenic:high Tumorigenic:low Reproductive Effective:high (Z)-2-(4-chlorophenyl)-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]prop-2-enenitrile is not a drug-like molecule.

MolName	(Z)-2-(4-chlorophenyl)-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]prop-2-enenitrile
MolecularFormula	C30H22N3Cl
Smiles	N#C/C(/c(cc1)ccc1Cl)=C\c(cc1)ccc1N(C(C1)c2ccccc2)N=C1c1ccccc1
InChI	InChI=1S/C30H22ClN3/c31-27-15-13-23(14-16-27)26(21-32)19-22-11-17-28(18-12-22)34-30(25-9-5-2-6-10-25)20-29(33-34)24-7-3-1-4-8-24/h1-19,30H,20H2/t30-/m0/s1
InChIK	FJSJHSRGDQOSMQ-PMERELPUSA-N
TotalMolweight	459.979
Molweight	459.979
MonoisotopicMass	459.150224
CLogP	7.401
CLogS	-7.298
H Acceptors	3
TotalSurfaceArea	360.41
Relative PSA	0.07941
PolarSurfaceArea	39.39
Druglikeness	-1.364
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	4
Electronegative Atoms	4
StereoCenters	1
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	2
Symmetricatoms	8
StereoCon	racemate

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