(NZ)-N-[[2,3,4-triamino-5-[(Z)-hydroxyiminomethyl]phenyl]methylidene]hydroxylamine
Formula:C8H11N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[[2,3,4-triamino-5-[(Z)-hydroxyiminomethyl]phenyl]methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[[2,3,4-triamino-5-[(Z)-hydroxyiminomethyl]phenyl]methylidene]hydroxylamine |
| MolecularFormula | C8H11N5O2 |
| Smiles | Nc(c(/C=N\O)cc(/C=N\O)c1N)c1N |
| InChI | InChI=1S/C8H11N5O2/c9-6-4(2-12-14)1-5(3-13-15)7(10)8(6)11/h1-3,14-15H,9-11H2 |
| InChIK | XWUDOISQLIEXDK-UHFFFAOYSA-N |
| TotalMolweight | 209.208 |
| Molweight | 209.208 |
| MonoisotopicMass | 209.091275 |
| CLogP | 0.7371 |
| CLogS | -3.242 |
| H Acceptors | 7 |
| H Donors | 5 |
| TotalSurfaceArea | 161.04 |
| Relative PSA | 0.5901 |
| PolarSurfaceArea | 143.24 |
| Druglikeness | -0.97823 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,2-diamino-aryl; 1,3-diamino-aryl |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amines | 3 |
| Aromatic Amines | 3 |
| StereoCon |
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1 - (NZ)-N-[[2,3,4-triamino-5-[(Z)-hydroxyiminomethyl]phenyl]methylidene]hydroxylamine | 2 - (NZ)-N-[[2,3,4-triamino-5-[(Z)-hydroxyiminomethyl]phenyl]methylidene]hydroxylamine
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