[2-(2-bromoanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

Formula:C15H12NO4Br Mutagenic:high Tumorigenic:none Reproductive Effective:none [2-(2-bromoanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-(2-bromoanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
MolecularFormula	C15H12NO4Br
Smiles	O=C(COC(/C=C/c1ccco1)=O)Nc(cccc1)c1Br
InChI	InChI=1S/C15H12BrNO4/c16-12-5-1-2-6-13(12)17-14(18)10-21-15(19)8-7-11-4-3-9-20-11/h1-9H,10H2,(H,17,18)
InChIK	GNCFBPMFEQYJCA-UHFFFAOYSA-N
TotalMolweight	350.167
Molweight	350.167
MonoisotopicMass	348.99497
CLogP	2.6081
CLogS	-3.917
H Acceptors	5
H Donors	1
TotalSurfaceArea	238.56
Relative PSA	0.25843
PolarSurfaceArea	68.54
Druglikeness	-1.6143
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Amides	1
StereoCon

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