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

Formula:C30H21N3 Mutagenic:high Tumorigenic:low Reproductive Effective:high (Z)-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-2-phenylprop-2-enenitrile is not a drug-like molecule.

MolName	(Z)-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-2-phenylprop-2-enenitrile
MolecularFormula	C30H21N3
Smiles	N#C/C(/c1ccccc1)=C\c(cc1)ccc1-n(c(-c1ccccc1)c1)nc1-c1ccccc1
InChI	InChI=1S/C30H21N3/c31-22-27(24-10-4-1-5-11-24)20-23-16-18-28(19-17-23)33-30(26-14-8-3-9-15-26)21-29(32-33)25-12-6-2-7-13-25/h1-21H
InChIK	ZEASUJIVGNTZAH-UHFFFAOYSA-N
TotalMolweight	423.518
Molweight	423.518
MonoisotopicMass	423.173547
CLogP	6.0018
CLogS	-6.92
H Acceptors	3
TotalSurfaceArea	346.68
Relative PSA	0.090573
PolarSurfaceArea	41.61
Druglikeness	-1.4894
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	3
Electronegative Atoms	3
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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