(E)-3-naphthalen-1-yl-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Formula:C28H18N2S Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-3-naphthalen-1-yl-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-naphthalen-1-yl-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C28H18N2S
Smiles	N#C/C(/c1nc(-c(cc2)ccc2-c2ccccc2)cs1)=C\c1cccc2ccccc12
InChI	InChI=1S/C28H18N2S/c29-18-25(17-24-11-6-10-22-9-4-5-12-26(22)24)28-30-27(19-31-28)23-15-13-21(14-16-23)20-7-2-1-3-8-20/h1-17,19H
InChIK	COBWHQCRLCSRKO-UHFFFAOYSA-N
TotalMolweight	414.531
Molweight	414.531
MonoisotopicMass	414.119068
CLogP	6.7665
CLogS	-8.129
H Acceptors	2
TotalSurfaceArea	328.26
Relative PSA	0.13675
PolarSurfaceArea	64.92
Druglikeness	-1.6505
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58065
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	1
StereoCon

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