(E)-3-(4-bromothiophen-2-yl)-2-(thiophene-2-carbonyl)prop-2-enenitrile

Formula:C12H6NOBrS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-bromothiophen-2-yl)-2-(thiophene-2-carbonyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(4-bromothiophen-2-yl)-2-(thiophene-2-carbonyl)prop-2-enenitrile
MolecularFormula	C12H6NOBrS2
Smiles	N#C/C(/C(c1cccs1)=O)=C\c1cc(Br)cs1
InChI	InChI=1S/C12H6BrNOS2/c13-9-5-10(17-7-9)4-8(6-14)12(15)11-2-1-3-16-11/h1-5,7H
InChIK	UMTJWWCWEAVBDM-UHFFFAOYSA-N
TotalMolweight	324.222
Molweight	324.222
MonoisotopicMass	322.907415
CLogP	3.6142
CLogS	-4.966
H Acceptors	2
TotalSurfaceArea	207.7
Relative PSA	0.32412
PolarSurfaceArea	97.34
Druglikeness	-7.0989
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.58824
Fragments	1
Non HAtoms	17
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
StereoCon

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