[(E)-2-nitroethylideneamino]urea
Formula:C3H6N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-2-nitroethylideneamino]urea is a drug-like molecule.
| MolName | [(E)-2-nitroethylideneamino]urea |
| MolecularFormula | C3H6N4O3 |
| Smiles | NC(N/N=C/C[N+]([O-])=O)=O |
| InChI | InChI=1S/C3H6N4O3/c4-3(8)6-5-1-2-7(9)10/h1H,2H2,(H3,4,6,8) |
| InChIK | CQITXDSVOCBJNL-UHFFFAOYSA-N |
| TotalMolweight | 146.106 |
| Molweight | 146.106 |
| MonoisotopicMass | 146.043991 |
| CLogP | -2.1512 |
| CLogS | -1.486 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 113.42 |
| Relative PSA | 0.72033 |
| PolarSurfaceArea | 113.3 |
| Druglikeness | -0.89857 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.8 |
| Fragments | 1 |
| Non HAtoms | 10 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Sp3Atoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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