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

Formula:C19H11N3BrF3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)anilino]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)anilino]prop-2-enenitrile
MolecularFormula	C19H11N3BrF3S
Smiles	N#C/C(/c1nc(-c(cc2)ccc2Br)cs1)=C\Nc1cc(C(F)(F)F)ccc1
InChI	InChI=1S/C19H11BrF3N3S/c20-15-6-4-12(5-7-15)17-11-27-18(26-17)13(9-24)10-25-16-3-1-2-14(8-16)19(21,22)23/h1-8,10-11,25H
InChIK	QSBKCYWVSDSBAZ-UHFFFAOYSA-N
TotalMolweight	450.281
Molweight	450.281
MonoisotopicMass	448.980912
CLogP	4.6571
CLogS	-5.995
H Acceptors	3
H Donors	1
TotalSurfaceArea	293.45
Relative PSA	0.19203
PolarSurfaceArea	76.95
Druglikeness	-10.655
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
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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