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

Formula:C22H15N3S Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-(naphthalen-1-ylamino)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(naphthalen-1-ylamino)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
MolecularFormula	C22H15N3S
Smiles	N#C/C(/c1nc(-c2ccccc2)cs1)=C\Nc1cccc2ccccc12
InChI	InChI=1S/C22H15N3S/c23-13-18(22-25-21(15-26-22)17-8-2-1-3-9-17)14-24-20-12-6-10-16-7-4-5-11-19(16)20/h1-12,14-15,24H
InChIK	XXEKJLXEUANRKU-UHFFFAOYSA-N
TotalMolweight	353.448
Molweight	353.448
MonoisotopicMass	353.098667
CLogP	4.278
CLogS	-5.989
H Acceptors	3
H Donors	1
TotalSurfaceArea	279.96
Relative PSA	0.20128
PolarSurfaceArea	76.95
Druglikeness	-1.6749
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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