(1E)-N-carbamoyl-2-(2-carbamoylhydrazinyl)-2-oxoethanehydrazonoyl chloride
Formula:C4H7N6O3Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(1E)-N-carbamoyl-2-(2-carbamoylhydrazinyl)-2-oxoethanehydrazonoyl chloride is a drug-like molecule.
| MolName | (1E)-N-carbamoyl-2-(2-carbamoylhydrazinyl)-2-oxoethanehydrazonoyl chloride |
| MolecularFormula | C4H7N6O3Cl |
| Smiles | NC(NNC(/C(/Cl)=N\NC(N)=O)=O)=O |
| InChI | InChI=1S/C4H7ClN6O3/c5-1(8-10-3(6)13)2(12)9-11-4(7)14/h(H,9,12)(H3,6,10,13)(H3,7,11,14) |
| InChIK | HQAZTERQGNYGOG-UHFFFAOYSA-N |
| TotalMolweight | 222.592 |
| Molweight | 222.592 |
| MonoisotopicMass | 222.026816 |
| CLogP | -3.2445 |
| CLogS | -1.658 |
| H Acceptors | 9 |
| H Donors | 5 |
| TotalSurfaceArea | 156.56 |
| Relative PSA | 0.73806 |
| PolarSurfaceArea | 151.7 |
| Druglikeness | 3.3214 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-halogenide type |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 3 |
| Amides | 2 |
| StereoCon |
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