(E)-(diaminomethylideneamino)-[[2-(difluoromethoxy)phenyl]methylidene]azanium
Formula:C9H11N4OF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-(diaminomethylideneamino)-[[2-(difluoromethoxy)phenyl]methylidene]azanium is a drug-like molecule.
| MolName | (E)-(diaminomethylideneamino)-[[2-(difluoromethoxy)phenyl]methylidene]azanium |
| MolecularFormula | C9H11N4OF2 |
| Smiles | NC(N)=N/[NH+]=C/c(cccc1)c1OC(F)F |
| InChI | InChI=1S/C9H10F2N4O/c10-8(11)16-7-4-2-1-3-6(7)5-14-15-9(12)13/h1-5,8H,(H4,12,13,15)/p+1 |
| InChIK | UNYUBBYZANTKSE-UHFFFAOYSA-O |
| TotalMolweight | 229.209 |
| Molweight | 229.209 |
| MonoisotopicMass | 229.090092 |
| CLogP | 1.4262 |
| CLogS | -3.612 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 161.72 |
| Relative PSA | 0.32185 |
| PolarSurfaceArea | 87.6 |
| Druglikeness | -4.2193 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (E)-(diaminomethylideneamino)-[[2-(difluoromethoxy)phenyl]methylidene]azanium | 2 - (E)-(diaminomethylideneamino)-[[2-(difluoromethoxy)phenyl]methylidene]azanium
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