(E)-3-[5-(2-bromophenyl)furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one

Formula:C17H11O2BrS Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(2-bromophenyl)furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-[5-(2-bromophenyl)furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one
MolecularFormula	C17H11O2BrS
Smiles	O=C(/C=C/c1ccc(-c(cccc2)c2Br)o1)c1cccs1
InChI	InChI=1S/C17H11BrO2S/c18-14-5-2-1-4-13(14)16-10-8-12(20-16)7-9-15(19)17-6-3-11-21-17/h1-11H
InChIK	AJCMKTSJTGTQHX-UHFFFAOYSA-N
TotalMolweight	359.242
Molweight	359.242
MonoisotopicMass	357.966311
CLogP	4.8345
CLogS	-6.144
H Acceptors	2
TotalSurfaceArea	241.29
Relative PSA	0.1969
PolarSurfaceArea	58.45
Druglikeness	1.8589
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
StereoCon

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