(E)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enenitrile

Formula:C16H8N2Cl2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enenitrile
MolecularFormula	C16H8N2Cl2S2
Smiles	N#C/C(/c1nc(-c(cc2)cc(Cl)c2Cl)cs1)=C\c1cccs1
InChI	InChI=1S/C16H8Cl2N2S2/c17-13-4-3-10(7-14(13)18)15-9-22-16(20-15)11(8-19)6-12-2-1-5-21-12/h1-7,9H
InChIK	IBUYLWBMNJDMHV-UHFFFAOYSA-N
TotalMolweight	363.292
Molweight	363.292
MonoisotopicMass	361.950592
CLogP	4.9915
CLogS	-5.919
H Acceptors	2
TotalSurfaceArea	260.68
Relative PSA	0.25031
PolarSurfaceArea	93.16
Druglikeness	-1.0209
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Aromatic Nitrogens	1
StereoCon

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