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

Formula:C30H21N3Cl2 Mutagenic:high Tumorigenic:low Reproductive Effective:high (Z)-2-(2,4-dichlorophenyl)-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]prop-2-enenitrile is not a drug-like molecule.

MolName	(Z)-2-(2,4-dichlorophenyl)-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]prop-2-enenitrile
MolecularFormula	C30H21N3Cl2
Smiles	N#C/C(/c(ccc(Cl)c1)c1Cl)=C\c(cc1)ccc1N(C(C1)c2ccccc2)N=C1c1ccccc1
InChI	InChI=1S/C30H21Cl2N3/c31-25-13-16-27(28(32)18-25)24(20-33)17-21-11-14-26(15-12-21)35-30(23-9-5-2-6-10-23)19-29(34-35)22-7-3-1-4-8-22/h1-18,30H,19H2/t30-/m0/s1
InChIK	LLVPCUOAGHELAA-PMERELPUSA-N
TotalMolweight	494.424
Molweight	494.424
MonoisotopicMass	493.111251
CLogP	8.007
CLogS	-8.034
H Acceptors	3
TotalSurfaceArea	375.83
Relative PSA	0.076151
PolarSurfaceArea	39.39
Druglikeness	-1.364
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	1
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	2
Symmetricatoms	6
StereoCon	racemate

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

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