(Z)-1-(4-nitrophenyl)-N-piperidin-1-ylmethanimine
Formula:C12H15N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(4-nitrophenyl)-N-piperidin-1-ylmethanimine is a drug-like molecule.
| MolName | (Z)-1-(4-nitrophenyl)-N-piperidin-1-ylmethanimine |
| MolecularFormula | C12H15N3O2 |
| Smiles | [O-][N+](c1ccc(/C=N\N2CCCCC2)cc1)=O |
| InChI | InChI=1S/C12H15N3O2/c16-15(17)12-6-4-11(5-7-12)10-13-14-8-2-1-3-9-14/h4-7,10H,1-3,8-9H2 |
| InChIK | QPQGLLKEELQLMD-UHFFFAOYSA-N |
| TotalMolweight | 233.27 |
| Molweight | 233.27 |
| MonoisotopicMass | 233.116427 |
| CLogP | 1.7339 |
| CLogS | -3.18 |
| H Acceptors | 5 |
| TotalSurfaceArea | 187.29 |
| Relative PSA | 0.24283 |
| PolarSurfaceArea | 61.42 |
| Druglikeness | -3.1932 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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