(E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[2-(trifluoromethylsulfanyl)anilino]prop-2-enenitrile

Formula:C19H11N3ClF3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[2-(trifluoromethylsulfanyl)anilino]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[2-(trifluoromethylsulfanyl)anilino]prop-2-enenitrile
MolecularFormula	C19H11N3ClF3S2
Smiles	N#C/C(/c1nc(-c(cc2)ccc2Cl)cs1)=C\Nc(cccc1)c1SC(F)(F)F
InChI	InChI=1S/C19H11ClF3N3S2/c20-14-7-5-12(6-8-14)16-11-27-18(26-16)13(9-24)10-25-15-3-1-2-4-17(15)28-19(21,22)23/h1-8,10-11,25H
InChIK	NAUKGEXJGARLFJ-UHFFFAOYSA-N
TotalMolweight	437.896
Molweight	437.896
MonoisotopicMass	437.003498
CLogP	6.2308
CLogS	-6.826
H Acceptors	3
H Donors	1
TotalSurfaceArea	307.73
Relative PSA	0.23995
PolarSurfaceArea	102.25
Druglikeness	-6.0892
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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