(E)-1,3-benzodioxol-5-ylmethylidene-(diaminomethylideneamino)azanium
Formula:C9H11N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1,3-benzodioxol-5-ylmethylidene-(diaminomethylideneamino)azanium is a drug-like molecule.
| MolName | (E)-1,3-benzodioxol-5-ylmethylidene-(diaminomethylideneamino)azanium |
| MolecularFormula | C9H11N4O2 |
| Smiles | NC(N)=N/[NH+]=C/c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C9H10N4O2/c10-9(11)13-12-4-6-1-2-7-8(3-6)15-5-14-7/h1-4H,5H2,(H4,10,11,13)/p+1 |
| InChIK | FVNHMHIVPIUGPW-UHFFFAOYSA-O |
| TotalMolweight | 207.212 |
| Molweight | 207.212 |
| MonoisotopicMass | 207.088201 |
| CLogP | 1.3682 |
| CLogS | -3.701 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 146.78 |
| Relative PSA | 0.42274 |
| PolarSurfaceArea | 96.83 |
| Druglikeness | -1.6708 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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