(Z)-2-(4-chlorophenyl)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enenitrile

Formula:C28H18N3Cl Mutagenic:none Tumorigenic:low Reproductive Effective:low (Z)-2-(4-chlorophenyl)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enenitrile is not a drug-like molecule.

MolName	(Z)-2-(4-chlorophenyl)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enenitrile
MolecularFormula	C28H18N3Cl
Smiles	N#C/C(/c(cc1)ccc1Cl)=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2cc1
InChI	InChI=1S/C28H18ClN3/c29-26-14-12-21(13-15-26)24(18-30)17-25-19-32(27-8-2-1-3-9-27)31-28(25)23-11-10-20-6-4-5-7-22(20)16-23/h1-17,19H
InChIK	VSKWZNGGBRHQPG-UHFFFAOYSA-N
TotalMolweight	431.925
Molweight	431.925
MonoisotopicMass	431.118924
CLogP	6.052
CLogS	-7.484
H Acceptors	3
TotalSurfaceArea	336.94
Relative PSA	0.093192
PolarSurfaceArea	41.61
Druglikeness	-1.6437
Mutagenic	none
Tumorigenic	low
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	27
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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