(E)-3-(4-bromophenyl)-2-(4-cyclopropyl-1,3-thiazol-2-yl)prop-2-enenitrile

Formula:C15H11N2BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-bromophenyl)-2-(4-cyclopropyl-1,3-thiazol-2-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(4-bromophenyl)-2-(4-cyclopropyl-1,3-thiazol-2-yl)prop-2-enenitrile
MolecularFormula	C15H11N2BrS
Smiles	N#C/C(/c1nc(C2CC2)cs1)=C\c(cc1)ccc1Br
InChI	InChI=1S/C15H11BrN2S/c16-13-5-1-10(2-6-13)7-12(8-17)15-18-14(9-19-15)11-3-4-11/h1-2,5-7,9,11H,3-4H2
InChIK	WGMVLAYYKONIFS-UHFFFAOYSA-N
TotalMolweight	331.236
Molweight	331.236
MonoisotopicMass	329.982629
CLogP	4.0527
CLogS	-4.474
H Acceptors	2
TotalSurfaceArea	219.29
Relative PSA	0.20471
PolarSurfaceArea	64.92
Druglikeness	-2.7991
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63158
Fragments	1
Non HAtoms	19
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	3
Aromatic Nitrogens	1
StereoCon

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