(E)-3-[5-(2-bromophenyl)furan-2-yl]prop-2-enoate

Formula:C13H8O3Br Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(2-bromophenyl)furan-2-yl]prop-2-enoate is a drug-like molecule.

MolName	(E)-3-[5-(2-bromophenyl)furan-2-yl]prop-2-enoate
MolecularFormula	C13H8O3Br
Smiles	[O-]C(/C=C/c1ccc(-c(cccc2)c2Br)o1)=O
InChI	InChI=1S/C13H9BrO3/c14-11-4-2-1-3-10(11)12-7-5-9(17-12)6-8-13(15)16/h1-8H,(H,15,16)/p-1
InChIK	FVCBRTBMTOOITC-UHFFFAOYSA-M
TotalMolweight	292.108
Molweight	292.108
MonoisotopicMass	290.965681
CLogP	1.062
CLogS	-4.293
H Acceptors	3
TotalSurfaceArea	193.12
Relative PSA	0.21453
PolarSurfaceArea	53.27
Druglikeness	-0.61097
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64706
Fragments	1
Non HAtoms	17
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
AcidicOxygens	1
StereoCon

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