(E)-(diaminomethylideneamino)-(furan-2-ylmethylidene)azanium
Formula:C6H9N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-(diaminomethylideneamino)-(furan-2-ylmethylidene)azanium is a drug-like molecule.
| MolName | (E)-(diaminomethylideneamino)-(furan-2-ylmethylidene)azanium |
| MolecularFormula | C6H9N4O |
| Smiles | NC(N)=N/[NH+]=C/c1ccco1 |
| InChI | InChI=1S/C6H8N4O/c7-6(8)10-9-4-5-2-1-3-11-5/h1-4H,(H4,7,8,10)/p+1 |
| InChIK | QIGGLAVEVCQBGA-UHFFFAOYSA-O |
| TotalMolweight | 153.164 |
| Molweight | 153.164 |
| MonoisotopicMass | 153.077636 |
| CLogP | 0.4455 |
| CLogS | -2.672 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 116.21 |
| Relative PSA | 0.48326 |
| PolarSurfaceArea | 91.51 |
| Druglikeness | -0.94528 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Symmetricatoms | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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