(E)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)prop-2-enenitrile

Formula:C18H9N2Cl2FS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)prop-2-enenitrile
MolecularFormula	C18H9N2Cl2FS
Smiles	N#C/C(/c1nc(-c(cc2)cc(Cl)c2Cl)cs1)=C\c1cc(F)ccc1
InChI	InChI=1S/C18H9Cl2FN2S/c19-15-5-4-12(8-16(15)20)17-10-24-18(23-17)13(9-22)6-11-2-1-3-14(21)7-11/h1-8,10H
InChIK	DXFQDCKNDYXLPU-UHFFFAOYSA-N
TotalMolweight	375.253
Molweight	375.253
MonoisotopicMass	373.98475
CLogP	5.2257
CLogS	-6.223
H Acceptors	2
TotalSurfaceArea	271.09
Relative PSA	0.16559
PolarSurfaceArea	64.92
Druglikeness	-2.9418
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Aromatic Nitrogens	1
StereoCon

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1 - (E)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)prop-2-enenitrile | 2 - (E)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)prop-2-enenitrile

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