[(Z)-[(3Z)-3-(carbamoylhydrazinylidene)-2-nitropropylidene]amino]urea
Formula:C5H9N7O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[(3Z)-3-(carbamoylhydrazinylidene)-2-nitropropylidene]amino]urea is not a drug-like molecule.
| MolName | [(Z)-[(3Z)-3-(carbamoylhydrazinylidene)-2-nitropropylidene]amino]urea |
| MolecularFormula | C5H9N7O4 |
| Smiles | NC(N/N=C\C(/C=N\NC(N)=O)[N+]([O-])=O)=O |
| InChI | InChI=1S/C5H9N7O4/c6-4(13)10-8-1-3(12(15)16)2-9-11-5(7)14/h1-3H,(H3,6,10,13)(H3,7,11,14) |
| InChIK | WATMTNNVMNHBNQ-UHFFFAOYSA-N |
| TotalMolweight | 231.171 |
| Molweight | 231.171 |
| MonoisotopicMass | 231.071603 |
| CLogP | -3.3885 |
| CLogS | -2.446 |
| H Acceptors | 11 |
| H Donors | 4 |
| TotalSurfaceArea | 174.65 |
| Relative PSA | 0.76141 |
| PolarSurfaceArea | 180.78 |
| Druglikeness | -0.7275 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - [(Z)-[(3Z)-3-(carbamoylhydrazinylidene)-2-nitropropylidene]amino]urea | 2 - [(Z)-[(3Z)-3-(carbamoylhydrazinylidene)-2-nitropropylidene]amino]urea
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