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

Formula:C30H20N3Cl Mutagenic:high Tumorigenic:low Reproductive Effective:high (Z)-2-(4-chlorophenyl)-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]prop-2-enenitrile is not a drug-like molecule.

MolName	(Z)-2-(4-chlorophenyl)-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]prop-2-enenitrile
MolecularFormula	C30H20N3Cl
Smiles	N#C/C(/c(cc1)ccc1Cl)=C\c(cc1)ccc1-n(c(-c1ccccc1)c1)nc1-c1ccccc1
InChI	InChI=1S/C30H20ClN3/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/h1-20H
InChIK	ASXIEKPIKHTIRY-UHFFFAOYSA-N
TotalMolweight	457.963
Molweight	457.963
MonoisotopicMass	457.134574
CLogP	6.6078
CLogS	-7.656
H Acceptors	3
TotalSurfaceArea	362.1
Relative PSA	0.086716
PolarSurfaceArea	41.61
Druglikeness	-1.4523
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
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	29
Symmetricatoms	8
Aromatic Nitrogens	2
StereoCon

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