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

Formula:C30H19N3Cl2 Mutagenic:high Tumorigenic:low Reproductive Effective:high (Z)-2-(2,4-dichlorophenyl)-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]prop-2-enenitrile is not a drug-like molecule.

MolName	(Z)-2-(2,4-dichlorophenyl)-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]prop-2-enenitrile
MolecularFormula	C30H19N3Cl2
Smiles	N#C/C(/c(ccc(Cl)c1)c1Cl)=C\c(cc1)ccc1-n(c(-c1ccccc1)c1)nc1-c1ccccc1
InChI	InChI=1S/C30H19Cl2N3/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/h1-19H
InChIK	ZOVPDOKQEXEZHP-UHFFFAOYSA-N
TotalMolweight	492.408
Molweight	492.408
MonoisotopicMass	491.095601
CLogP	7.2138
CLogS	-8.392
H Acceptors	3
TotalSurfaceArea	377.52
Relative PSA	0.083174
PolarSurfaceArea	41.61
Druglikeness	-1.4523
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
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	29
Symmetricatoms	6
Aromatic Nitrogens	2
StereoCon

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