[4-bromo-2-[(E)-2-nitroethenyl]phenyl] furan-2-carboxylate

Formula:C13H8NO5Br Mutagenic:high Tumorigenic:none Reproductive Effective:none [4-bromo-2-[(E)-2-nitroethenyl]phenyl] furan-2-carboxylate is a drug-like molecule.

MolName	[4-bromo-2-[(E)-2-nitroethenyl]phenyl] furan-2-carboxylate
MolecularFormula	C13H8NO5Br
Smiles	[O-][N+](/C=C/c(cc(cc1)Br)c1OC(c1ccco1)=O)=O
InChI	InChI=1S/C13H8BrNO5/c14-10-3-4-11(9(8-10)5-6-15(17)18)20-13(16)12-2-1-7-19-12/h1-8H
InChIK	ULSYZLDGEADKGP-UHFFFAOYSA-N
TotalMolweight	338.113
Molweight	338.113
MonoisotopicMass	336.958585
CLogP	2.1142
CLogS	-4.612
H Acceptors	6
TotalSurfaceArea	219.26
Relative PSA	0.30817
PolarSurfaceArea	85.26
Druglikeness	-7.4772
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55
Fragments	1
Non HAtoms	20
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
AcidicOxygens	1
StereoCon

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