(NE)-N-[(2-amino-5-nitrophenyl)-phenylmethylidene]hydroxylamine
Formula:C13H11N3O3
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
(NE)-N-[(2-amino-5-nitrophenyl)-phenylmethylidene]hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-[(2-amino-5-nitrophenyl)-phenylmethylidene]hydroxylamine |
| MolecularFormula | C13H11N3O3 |
| Smiles | Nc(ccc([N+]([O-])=O)c1)c1/C(/c1ccccc1)=N/O |
| InChI | InChI=1S/C13H11N3O3/c14-12-7-6-10(16(18)19)8-11(12)13(15-17)9-4-2-1-3-5-9/h1-8,17H,14H2 |
| InChIK | ONHUMNWRIVWZHH-UHFFFAOYSA-N |
| TotalMolweight | 257.248 |
| Molweight | 257.248 |
| MonoisotopicMass | 257.080042 |
| CLogP | 1.8121 |
| CLogS | -4.627 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 194.53 |
| Relative PSA | 0.36138 |
| PolarSurfaceArea | 104.43 |
| Druglikeness | -6.5758 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (NE)-N-[(2-amino-5-nitrophenyl)-phenylmethylidene]hydroxylamine | 2 - (NE)-N-[(2-amino-5-nitrophenyl)-phenylmethylidene]hydroxylamine
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