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

Formula:C16H9N2BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-2-(1,3-benzothiazol-2-yl)-3-(4-bromophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-2-(1,3-benzothiazol-2-yl)-3-(4-bromophenyl)prop-2-enenitrile
MolecularFormula	C16H9N2BrS
Smiles	N#C/C(/c1nc(cccc2)c2s1)=C/c(cc1)ccc1Br
InChI	InChI=1S/C16H9BrN2S/c17-13-7-5-11(6-8-13)9-12(10-18)16-19-14-3-1-2-4-15(14)20-16/h1-9H
InChIK	WQXNWWWYOQXUPP-UHFFFAOYSA-N
TotalMolweight	341.231
Molweight	341.231
MonoisotopicMass	339.966979
CLogP	4.065
CLogS	-4.727
H Acceptors	2
TotalSurfaceArea	227.37
Relative PSA	0.19743
PolarSurfaceArea	64.92
Druglikeness	-4.8593
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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