(NE)-N-[(3-nitrophenyl)-piperidin-1-ylmethylidene]hydroxylamine
Formula:C12H15N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[(3-nitrophenyl)-piperidin-1-ylmethylidene]hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-[(3-nitrophenyl)-piperidin-1-ylmethylidene]hydroxylamine |
| MolecularFormula | C12H15N3O3 |
| Smiles | [O-][N+](c1cc(/C(/N2CCCCC2)=N\O)ccc1)=O |
| InChI | InChI=1S/C12H15N3O3/c16-13-12(14-7-2-1-3-8-14)10-5-4-6-11(9-10)15(17)18/h4-6,9,16H,1-3,7-8H2 |
| InChIK | ZZFZWDQCNVOLFG-UHFFFAOYSA-N |
| TotalMolweight | 249.269 |
| Molweight | 249.269 |
| MonoisotopicMass | 249.111342 |
| CLogP | 2.1977 |
| CLogS | -3.05 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 191.85 |
| Relative PSA | 0.30534 |
| PolarSurfaceArea | 81.65 |
| Druglikeness | -4.6083 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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