(4-bromophenyl) (E)-2-cyano-3-thiophen-2-ylprop-2-enoate

Formula:C14H8NO2BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (4-bromophenyl) (E)-2-cyano-3-thiophen-2-ylprop-2-enoate is a drug-like molecule.

MolName	(4-bromophenyl) (E)-2-cyano-3-thiophen-2-ylprop-2-enoate
MolecularFormula	C14H8NO2BrS
Smiles	N#C/C(/C(Oc(cc1)ccc1Br)=O)=C\c1cccs1
InChI	InChI=1S/C14H8BrNO2S/c15-11-3-5-12(6-4-11)18-14(17)10(9-16)8-13-2-1-7-19-13/h1-8H
InChIK	SBYQQIWDOUTYPX-UHFFFAOYSA-N
TotalMolweight	334.193
Molweight	334.193
MonoisotopicMass	332.94591
CLogP	3.8631
CLogS	-4.572
H Acceptors	3
TotalSurfaceArea	221.76
Relative PSA	0.25685
PolarSurfaceArea	78.33
Druglikeness	-4.0828
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.63158
Fragments	1
Non HAtoms	19
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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