2-[2-hydroxyethyl-[(Z)-pyridin-2-ylmethylideneamino]amino]ethanol
Formula:C10H15N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[2-hydroxyethyl-[(Z)-pyridin-2-ylmethylideneamino]amino]ethanol is a drug-like molecule.
| MolName | 2-[2-hydroxyethyl-[(Z)-pyridin-2-ylmethylideneamino]amino]ethanol |
| MolecularFormula | C10H15N3O2 |
| Smiles | OCCN(CCO)/N=C\c1ncccc1 |
| InChI | InChI=1S/C10H15N3O2/c14-7-5-13(6-8-15)12-9-10-3-1-2-4-11-10/h1-4,9,14-15H,5-8H2 |
| InChIK | SPGAGZONJQEZRQ-UHFFFAOYSA-N |
| TotalMolweight | 209.248 |
| Molweight | 209.248 |
| MonoisotopicMass | 209.116427 |
| CLogP | -0.2496 |
| CLogS | -0.579 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 174.82 |
| Relative PSA | 0.29876 |
| PolarSurfaceArea | 68.95 |
| Druglikeness | 3.897 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[2-hydroxyethyl-[(Z)-pyridin-2-ylmethylideneamino]amino]ethanol | 2 - 2-[2-hydroxyethyl-[(Z)-pyridin-2-ylmethylideneamino]amino]ethanol
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off