(E)-N-(2,4-dibromophenyl)-3-thiophen-2-ylprop-2-enamide

Formula:C13H9NOBr2S Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-N-(2,4-dibromophenyl)-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.

MolName	(E)-N-(2,4-dibromophenyl)-3-thiophen-2-ylprop-2-enamide
MolecularFormula	C13H9NOBr2S
Smiles	O=C(/C=C/c1cccs1)Nc(ccc(Br)c1)c1Br
InChI	InChI=1S/C13H9Br2NOS/c14-9-3-5-12(11(15)8-9)16-13(17)6-4-10-2-1-7-18-10/h1-8H,(H,16,17)
InChIK	MXFZQWXXRGITGR-UHFFFAOYSA-N
TotalMolweight	387.094
Molweight	387.094
MonoisotopicMass	384.877156
CLogP	4.4533
CLogS	-5.176
H Acceptors	2
H Donors	1
TotalSurfaceArea	221.93
Relative PSA	0.20214
PolarSurfaceArea	57.34
Druglikeness	-0.13618
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	18
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Amides	1
StereoCon

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