(4-nitrophenyl)methyl (1Z,2Z)-N,2-diamino-2-hydrazinylideneethanimidothioate
Formula:C9H12N6O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4-nitrophenyl)methyl (1Z,2Z)-N,2-diamino-2-hydrazinylideneethanimidothioate is a drug-like molecule.
| MolName | (4-nitrophenyl)methyl (1Z,2Z)-N,2-diamino-2-hydrazinylideneethanimidothioate |
| MolecularFormula | C9H12N6O2S |
| Smiles | N/C(/C(/SCc(cc1)ccc1[N+]([O-])=O)=N/N)=N\N |
| InChI | InChI=1S/C9H12N6O2S/c10-8(13-11)9(14-12)18-5-6-1-3-7(4-2-6)15(16)17/h1-4H,5,11-12H2,(H2,10,13) |
| InChIK | TUFRFAGONGMKKK-UHFFFAOYSA-N |
| TotalMolweight | 268.3 |
| Molweight | 268.3 |
| MonoisotopicMass | 268.074244 |
| CLogP | -1.161 |
| CLogS | -3.007 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 199.68 |
| Relative PSA | 0.58464 |
| PolarSurfaceArea | 173.9 |
| Druglikeness | -6.3516 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (4-nitrophenyl)methyl (1Z,2Z)-N,2-diamino-2-hydrazinylideneethanimidothioate | 2 - (4-nitrophenyl)methyl (1Z,2Z)-N,2-diamino-2-hydrazinylideneethanimidothioate
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