(E)-2-benzoyl-3-(4-bromothiophen-2-yl)prop-2-enenitrile

Formula:C14H8NOBrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-benzoyl-3-(4-bromothiophen-2-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-benzoyl-3-(4-bromothiophen-2-yl)prop-2-enenitrile
MolecularFormula	C14H8NOBrS
Smiles	N#C/C(/C(c1ccccc1)=O)=C\c1cc(Br)cs1
InChI	InChI=1S/C14H8BrNOS/c15-12-7-13(18-9-12)6-11(8-16)14(17)10-4-2-1-3-5-10/h1-7,9H
InChIK	AOMCGLNTASJYOH-UHFFFAOYSA-N
TotalMolweight	318.194
Molweight	318.194
MonoisotopicMass	316.950995
CLogP	3.7476
CLogS	-4.956
H Acceptors	2
TotalSurfaceArea	211.76
Relative PSA	0.22176
PolarSurfaceArea	69.1
Druglikeness	-7.9138
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.61111
Fragments	1
Non HAtoms	18
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Symmetricatoms	2
StereoCon

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