(E)-2-(1-adamantyl)-2-hydroxyethenediazonium
Formula:C12H17N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(1-adamantyl)-2-hydroxyethenediazonium is a drug-like molecule.
| MolName | (E)-2-(1-adamantyl)-2-hydroxyethenediazonium |
| MolecularFormula | C12H17N2O |
| Smiles | N#[N+]/C=C(\C1(CC(C2)C3)CC3CC2C1)/O |
| InChI | InChI=1S/C12H16N2O/c13-14-7-11(15)12-4-8-1-9(5-12)3-10(2-8)6-12/h7-10H,1-6H2/p+1 |
| InChIK | GONIHHFXBAOLKR-UHFFFAOYSA-O |
| TotalMolweight | 205.28 |
| Molweight | 205.28 |
| MonoisotopicMass | 205.134088 |
| CLogP | 2.0638 |
| CLogS | -3.163 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 159.1 |
| Relative PSA | 0.2792 |
| PolarSurfaceArea | 48.38 |
| Druglikeness | -2.5766 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Sp3Atoms | 11 |
| Symmetricatoms | 6 |
| StereoCon |
Click to Load Molecule:
1 - (E)-2-(1-adamantyl)-2-hydroxyethenediazonium | 2 - (E)-2-(1-adamantyl)-2-hydroxyethenediazonium
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off