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

Formula:C30H20N2O2S Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-3-(4-phenacyloxyphenyl)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-3-(4-phenacyloxyphenyl)prop-2-enenitrile
MolecularFormula	C30H20N2O2S
Smiles	N#C/C(/c1nc(-c2cccc3ccccc23)cs1)=C\c(cc1)ccc1OCC(c1ccccc1)=O
InChI	InChI=1S/C30H20N2O2S/c31-18-24(30-32-28(20-35-30)27-12-6-10-22-7-4-5-11-26(22)27)17-21-13-15-25(16-14-21)34-19-29(33)23-8-2-1-3-9-23/h1-17,20H,19H2
InChIK	WEYYWXWJDBVHJH-UHFFFAOYSA-N
TotalMolweight	472.567
Molweight	472.567
MonoisotopicMass	472.124548
CLogP	5.9972
CLogS	-7.677
H Acceptors	4
TotalSurfaceArea	369.77
Relative PSA	0.18371
PolarSurfaceArea	91.22
Druglikeness	-0.98528
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	35
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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