(NE)-N-[[5-(4-nitrophenyl)furan-2-yl]methylidene]hydroxylamine
Formula:C11H8N2O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(NE)-N-[[5-(4-nitrophenyl)furan-2-yl]methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-[[5-(4-nitrophenyl)furan-2-yl]methylidene]hydroxylamine |
| MolecularFormula | C11H8N2O4 |
| Smiles | [O-][N+](c(cc1)ccc1-c1ccc(/C=N/O)o1)=O |
| InChI | InChI=1S/C11H8N2O4/c14-12-7-10-5-6-11(17-10)8-1-3-9(4-2-8)13(15)16/h1-7,14H |
| InChIK | HPAWHLYTSAIGMS-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 | 0.70588 |
| 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 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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