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

Formula:C24H16N2O2S2 Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-3-(4-phenacyloxyphenyl)-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(4-phenacyloxyphenyl)-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile
MolecularFormula	C24H16N2O2S2
Smiles	N#C/C(/c1nc(-c2cccs2)cs1)=C\c(cc1)ccc1OCC(c1ccccc1)=O
InChI	InChI=1S/C24H16N2O2S2/c25-14-19(24-26-21(16-30-24)23-7-4-12-29-23)13-17-8-10-20(11-9-17)28-15-22(27)18-5-2-1-3-6-18/h1-13,16H,15H2
InChIK	WIBHQNXOCOSGIK-UHFFFAOYSA-N
TotalMolweight	428.535
Molweight	428.535
MonoisotopicMass	428.065318
CLogP	4.8263
CLogS	-5.992
H Acceptors	4
TotalSurfaceArea	331.11
Relative PSA	0.26665
PolarSurfaceArea	119.46
Druglikeness	-0.18326
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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