(E)-(diaminomethylideneamino)-[(4-fluorophenyl)methylidene]azanium
Formula:C8H10N4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-(diaminomethylideneamino)-[(4-fluorophenyl)methylidene]azanium is a drug-like molecule.
| MolName | (E)-(diaminomethylideneamino)-[(4-fluorophenyl)methylidene]azanium |
| MolecularFormula | C8H10N4F |
| Smiles | NC(N)=N/[NH+]=C/c(cc1)ccc1F |
| InChI | InChI=1S/C8H9FN4/c9-7-3-1-6(2-4-7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)/p+1 |
| InChIK | GFXHHBYJHQAIHD-UHFFFAOYSA-O |
| TotalMolweight | 181.193 |
| Molweight | 181.193 |
| MonoisotopicMass | 181.088949 |
| CLogP | 1.3576 |
| CLogS | -3.304 |
| H Acceptors | 4 |
| H Donors | 3 |
| TotalSurfaceArea | 132.87 |
| Relative PSA | 0.31647 |
| PolarSurfaceArea | 78.37 |
| Druglikeness | -3.0888 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.76923 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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