(NE)-N-(4-amino-1-pyridin-3-ylbutylidene)hydroxylamine
Formula:C9H13N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-(4-amino-1-pyridin-3-ylbutylidene)hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-(4-amino-1-pyridin-3-ylbutylidene)hydroxylamine |
| MolecularFormula | C9H13N3O |
| Smiles | NCCC/C(/c1cnccc1)=N\O |
| InChI | InChI=1S/C9H13N3O/c10-5-1-4-9(12-13)8-3-2-6-11-7-8/h2-3,6-7,13H,1,4-5,10H2 |
| InChIK | FESIRUOSYRBYCW-UHFFFAOYSA-N |
| TotalMolweight | 179.222 |
| Molweight | 179.222 |
| MonoisotopicMass | 179.105862 |
| CLogP | 0.7356 |
| CLogS | -1.989 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 151.14 |
| Relative PSA | 0.33644 |
| PolarSurfaceArea | 71.5 |
| Druglikeness | -2.5531 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (NE)-N-(4-amino-1-pyridin-3-ylbutylidene)hydroxylamine | 2 - (NE)-N-(4-amino-1-pyridin-3-ylbutylidene)hydroxylamine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off