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

Formula:C18H10N2BrFS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-bromophenyl)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(4-bromophenyl)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C18H10N2BrFS
Smiles	N#C/C(/c1nc(-c(cc2)ccc2F)cs1)=C\c(cc1)ccc1Br
InChI	InChI=1S/C18H10BrFN2S/c19-15-5-1-12(2-6-15)9-14(10-21)18-22-17(11-23-18)13-3-7-16(20)8-4-13/h1-9,11H
InChIK	QNKLLADKMBIGLK-UHFFFAOYSA-N
TotalMolweight	385.259
Molweight	385.259
MonoisotopicMass	383.973207
CLogP	4.7389
CLogS	-5.585
H Acceptors	2
TotalSurfaceArea	258.88
Relative PSA	0.1734
PolarSurfaceArea	64.92
Druglikeness	-4.7805
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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