(E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[4-chloro-3-(trifluoromethyl)anilino]prop-2-enenitrile

Formula:C19H10N3BrClF3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[4-chloro-3-(trifluoromethyl)anilino]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[4-chloro-3-(trifluoromethyl)anilino]prop-2-enenitrile
MolecularFormula	C19H10N3BrClF3S
Smiles	N#C/C(/c1nc(-c(cc2)ccc2Br)cs1)=C\Nc(cc1)cc(C(F)(F)F)c1Cl
InChI	InChI=1S/C19H10BrClF3N3S/c20-13-3-1-11(2-4-13)17-10-28-18(27-17)12(8-25)9-26-14-5-6-16(21)15(7-14)19(22,23)24/h1-7,9-10,26H
InChIK	HDMQLPLUCWVWGE-UHFFFAOYSA-N
TotalMolweight	484.726
Molweight	484.726
MonoisotopicMass	482.941939
CLogP	5.2631
CLogS	-6.731
H Acceptors	3
H Donors	1
TotalSurfaceArea	308.87
Relative PSA	0.18244
PolarSurfaceArea	76.95
Druglikeness	-10.609
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	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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1 - (E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[4-chloro-3-(trifluoromethyl)anilino]prop-2-enenitrile | 2 - (E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[4-chloro-3-(trifluoromethyl)anilino]prop-2-enenitrile

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