(NE)-N-[1-(4-nitrophenyl)-2-piperidin-1-ylethylidene]hydroxylamine
Formula:C13H17N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[1-(4-nitrophenyl)-2-piperidin-1-ylethylidene]hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-[1-(4-nitrophenyl)-2-piperidin-1-ylethylidene]hydroxylamine |
| MolecularFormula | C13H17N3O3 |
| Smiles | [O-][N+](c(cc1)ccc1/C(/CN1CCCCC1)=N\O)=O |
| InChI | InChI=1S/C13H17N3O3/c17-14-13(10-15-8-2-1-3-9-15)11-4-6-12(7-5-11)16(18)19/h4-7,17H,1-3,8-10H2 |
| InChIK | WAMCFUBGKKOGOU-UHFFFAOYSA-N |
| TotalMolweight | 263.296 |
| Molweight | 263.296 |
| MonoisotopicMass | 263.126992 |
| CLogP | 0.7306 |
| CLogS | -3.214 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 205.61 |
| Relative PSA | 0.28491 |
| PolarSurfaceArea | 81.65 |
| Druglikeness | -3.6555 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (NE)-N-[1-(4-nitrophenyl)-2-piperidin-1-ylethylidene]hydroxylamine | 2 - (NE)-N-[1-(4-nitrophenyl)-2-piperidin-1-ylethylidene]hydroxylamine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off