(Z)-3-(1,3-diphenylpyrazol-4-yl)-2-naphthalen-1-ylprop-2-enenitrile

Formula:C28H19N3 Mutagenic:none Tumorigenic:high Reproductive Effective:low (Z)-3-(1,3-diphenylpyrazol-4-yl)-2-naphthalen-1-ylprop-2-enenitrile is not a drug-like molecule.

MolName	(Z)-3-(1,3-diphenylpyrazol-4-yl)-2-naphthalen-1-ylprop-2-enenitrile
MolecularFormula	C28H19N3
Smiles	N#C/C(/c1cccc2ccccc12)=C\c1cn(-c2ccccc2)nc1-c1ccccc1
InChI	InChI=1S/C28H19N3/c29-19-23(27-17-9-13-21-10-7-8-16-26(21)27)18-24-20-31(25-14-5-2-6-15-25)30-28(24)22-11-3-1-4-12-22/h1-18,20H
InChIK	CYKROTPRWIXHNX-UHFFFAOYSA-N
TotalMolweight	397.48
Molweight	397.48
MonoisotopicMass	397.157897
CLogP	5.446
CLogS	-6.748
H Acceptors	3
TotalSurfaceArea	321.52
Relative PSA	0.097661
PolarSurfaceArea	41.61
Druglikeness	-1.681
Mutagenic	none
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.45161
Fragments	1
Non HAtoms	31
NonCHAtoms	3
Electronegative Atoms	3
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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