(E)-2-(1,3-benzothiazol-2-yl)-3-(4-bromothiophen-2-yl)prop-2-enenitrile

Formula:C14H7N2BrS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1,3-benzothiazol-2-yl)-3-(4-bromothiophen-2-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1,3-benzothiazol-2-yl)-3-(4-bromothiophen-2-yl)prop-2-enenitrile
MolecularFormula	C14H7N2BrS2
Smiles	N#C/C(/c1nc(cccc2)c2s1)=C\c1cc(Br)cs1
InChI	InChI=1S/C14H7BrN2S2/c15-10-6-11(18-8-10)5-9(7-16)14-17-12-3-1-2-4-13(12)19-14/h1-6,8H
InChIK	CBADOLLFVFDVOG-UHFFFAOYSA-N
TotalMolweight	347.26
Molweight	347.26
MonoisotopicMass	345.923399
CLogP	3.9316
CLogS	-4.737
H Acceptors	2
TotalSurfaceArea	223.31
Relative PSA	0.29219
PolarSurfaceArea	93.16
Druglikeness	-8.4393
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57895
Fragments	1
Non HAtoms	19
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	14
Aromatic Nitrogens	1
StereoCon

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