(E)-(2-bromophenyl)methylidene-(diaminomethylideneamino)azanium
Formula:C8H10N4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-(2-bromophenyl)methylidene-(diaminomethylideneamino)azanium is a drug-like molecule.
| MolName | (E)-(2-bromophenyl)methylidene-(diaminomethylideneamino)azanium |
| MolecularFormula | C8H10N4Br |
| Smiles | NC(N)=N/[NH+]=C/c(cccc1)c1Br |
| InChI | InChI=1S/C8H9BrN4/c9-7-4-2-1-3-6(7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)/p+1 |
| InChIK | AVXKQDSMHJFZGZ-UHFFFAOYSA-O |
| TotalMolweight | 242.099 |
| Molweight | 242.099 |
| MonoisotopicMass | 241.008882 |
| CLogP | 1.982 |
| CLogS | -3.824 |
| H Acceptors | 4 |
| H Donors | 3 |
| TotalSurfaceArea | 145.15 |
| Relative PSA | 0.2897 |
| PolarSurfaceArea | 78.37 |
| Druglikeness | -3.5388 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| 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 | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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