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

Formula:C19H11N3OCl2F2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[2-(difluoromethoxy)anilino]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[2-(difluoromethoxy)anilino]prop-2-enenitrile
MolecularFormula	C19H11N3OCl2F2S
Smiles	N#C/C(/c1nc(-c(cc2)cc(Cl)c2Cl)cs1)=C\Nc(cccc1)c1OC(F)F
InChI	InChI=1S/C19H11Cl2F2N3OS/c20-13-6-5-11(7-14(13)21)16-10-28-18(26-16)12(8-24)9-25-15-3-1-2-4-17(15)27-19(22)23/h1-7,9-10,19,25H
InChIK	FBOQJOAVOBFPBW-UHFFFAOYSA-N
TotalMolweight	438.284
Molweight	438.284
MonoisotopicMass	436.996792
CLogP	4.465
CLogS	-6.477
H Acceptors	4
H Donors	1
TotalSurfaceArea	311.4
Relative PSA	0.21307
PolarSurfaceArea	86.18
Druglikeness	-4.4727
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	1
Aromatic Nitrogens	1
StereoCon

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

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