[2-(2-nitroanilino)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate

Formula:C15H11N2O6Br Mutagenic:high Tumorigenic:high Reproductive Effective:none [2-(2-nitroanilino)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-(2-nitroanilino)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate
MolecularFormula	C15H11N2O6Br
Smiles	[O-][N+](c(cccc1)c1NC(COC(/C=C/c(o1)ccc1Br)=O)=O)=O
InChI	InChI=1S/C15H11BrN2O6/c16-13-7-5-10(24-13)6-8-15(20)23-9-14(19)17-11-3-1-2-4-12(11)18(21)22/h1-8H,9H2,(H,17,19)
InChIK	VAGBYMMKFPNQCD-UHFFFAOYSA-N
TotalMolweight	395.164
Molweight	395.164
MonoisotopicMass	393.980049
CLogP	1.7839
CLogS	-4.14
H Acceptors	8
H Donors	1
TotalSurfaceArea	262.23
Relative PSA	0.3511
PolarSurfaceArea	114.36
Druglikeness	-7.0006
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Amides	1
AcidicOxygens	1
StereoCon

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