(E)-3-(1,3-diphenylpyrazol-4-yl)-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile

Formula:C31H20N4S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(1,3-diphenylpyrazol-4-yl)-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-(1,3-diphenylpyrazol-4-yl)-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile
MolecularFormula	C31H20N4S
Smiles	N#C/C(/c1nc(-c2cc3ccccc3cc2)cs1)=C\c1cn(-c2ccccc2)nc1-c1ccccc1
InChI	InChI=1S/C31H20N4S/c32-19-26(31-33-29(21-36-31)25-16-15-22-9-7-8-12-24(22)17-25)18-27-20-35(28-13-5-2-6-14-28)34-30(27)23-10-3-1-4-11-23/h1-18,20-21H
InChIK	AIZKKQVMOBRYKX-UHFFFAOYSA-N
TotalMolweight	480.594
Molweight	480.594
MonoisotopicMass	480.140866
CLogP	6.0263
CLogS	-7.556
H Acceptors	4
TotalSurfaceArea	375.98
Relative PSA	0.16684
PolarSurfaceArea	82.74
Druglikeness	0.52041
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	36
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	32
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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