2-(4-bromophenoxy)-N-[4-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]acetamide

Formula:C21H16NO3BrS Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-(4-bromophenoxy)-N-[4-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]acetamide is a drug-like molecule.

MolName	2-(4-bromophenoxy)-N-[4-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]acetamide
MolecularFormula	C21H16NO3BrS
Smiles	O=C(COc(cc1)ccc1Br)Nc1ccc(/C=C/C(c2cccs2)=O)cc1
InChI	InChI=1S/C21H16BrNO3S/c22-16-6-10-18(11-7-16)26-14-21(25)23-17-8-3-15(4-9-17)5-12-19(24)20-2-1-13-27-20/h1-13H,14H2,(H,23,25)
InChIK	JTQGBWOINHISMD-UHFFFAOYSA-N
TotalMolweight	442.332
Molweight	442.332
MonoisotopicMass	441.003425
CLogP	4.618
CLogS	-5.976
H Acceptors	4
H Donors	1
TotalSurfaceArea	304.57
Relative PSA	0.22294
PolarSurfaceArea	83.64
Druglikeness	2.3709
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.7037
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
Amides	1
StereoCon

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