(NE)-N-[[5-(3-nitrophenyl)furan-2-yl]methylidene]hydroxylamine
Molecular Formula : C11H8N2O4 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |(NE)-N-[[5-(3-nitrophenyl)furan-2-yl]methylidene]hydroxylamine is a drug-like molecule.
MolName : (NE)-N-[[5-(3-nitrophenyl)furan-2-yl]methylidene]hydroxylamine |
MolecularFormula : C11H8N2O4 |
Smiles : [O-][N+](c1cc(-c2ccc(/C=N/O)o2)ccc1)=O |
InChI : InChI=1S/C11H8N2O4/c14-12-7-10-4-5-11(17-10)8-2-1-3-9(6-8)13(15)16/h1-7,14H |
InChIK : OQNFGUGJYRQEJL-UHFFFAOYSA-N |
TotalMolweight : 232.195 |
Molweight : 232.195 |
MonoisotopicMass : 232.048408 |
CLogP : 2.2316 |
CLogS : -4.235 |
H Acceptors : 6 |
H Donors : 1 |
TotalSurfaceArea : 177.49 |
Relative PSA : 0.38954 |
PolarSurfaceArea : 91.55 |
Druglikeness : -3.3909 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.64706 |
Fragments : 1 |
Non HAtoms : 17 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 3 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 11 |
Sp3Atoms : 2 |
AcidicOxygens : 1 |
StereoCon : |