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

Formula:C22H13N2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-chlorophenyl)-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-(4-chlorophenyl)-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile
MolecularFormula	C22H13N2ClS
Smiles	N#C/C(/c1nc(-c2cc3ccccc3cc2)cs1)=C\c(cc1)ccc1Cl
InChI	InChI=1S/C22H13ClN2S/c23-20-9-5-15(6-10-20)11-19(13-24)22-25-21(14-26-22)18-8-7-16-3-1-2-4-17(16)12-18/h1-12,14H
InChIK	OHGMKKPYLGEUKN-UHFFFAOYSA-N
TotalMolweight	372.878
Molweight	372.878
MonoisotopicMass	372.048795
CLogP	5.7133
CLogS	-6.779
H Acceptors	2
TotalSurfaceArea	283.92
Relative PSA	0.15811
PolarSurfaceArea	64.92
Druglikeness	-1.6018
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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