(Z)-3-(4-bromophenyl)-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile

Formula:C16H9N2BrS2 Mutagenic:high Tumorigenic:none Reproductive Effective:none (Z)-3-(4-bromophenyl)-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-3-(4-bromophenyl)-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile
MolecularFormula	C16H9N2BrS2
Smiles	N#C/C(/c1nc(-c2cccs2)cs1)=C/c(cc1)ccc1Br
InChI	InChI=1S/C16H9BrN2S2/c17-13-5-3-11(4-6-13)8-12(9-18)16-19-14(10-21-16)15-2-1-7-20-15/h1-8,10H
InChIK	AEEMLFSWYOVSKK-UHFFFAOYSA-N
TotalMolweight	373.297
Molweight	373.297
MonoisotopicMass	371.939049
CLogP	4.6616
CLogS	-5.192
H Acceptors	2
TotalSurfaceArea	248.47
Relative PSA	0.26261
PolarSurfaceArea	93.16
Druglikeness	-2.5853
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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