1-nitrosoazetidine-2-carboxylate
Formula:C4H5N2O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
1-nitrosoazetidine-2-carboxylate is a drug-like molecule.
| MolName | 1-nitrosoazetidine-2-carboxylate |
| MolecularFormula | C4H5N2O3 |
| Smiles | [O-]C(C(CC1)N1N=O)=O |
| InChI | InChI=1S/C4H6N2O3/c7-4(8)3-1-2-6(3)5-9/h3H,1-2H2,(H,7,8)/p-1/t3-/m0/s1 |
| InChIK | ZRTLYYKIFSGFIC-VKHMYHEASA-M |
| TotalMolweight | 129.095 |
| Molweight | 129.095 |
| MonoisotopicMass | 129.030018 |
| CLogP | -2.9318 |
| CLogS | -0.071 |
| H Acceptors | 5 |
| TotalSurfaceArea | 93.4 |
| Relative PSA | 0.59336 |
| PolarSurfaceArea | 72.8 |
| Druglikeness | 2.7326 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | nitroso |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 9 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 1-nitrosoazetidine-2-carboxylate | 2 - 1-nitrosoazetidine-2-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off