(E)-(diaminomethylideneamino)-[[4-[(E)-(diaminomethylideneamino)azaniumylidenemethyl]phenyl]methylidene]azanium
Formula:C10H16N8
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-(diaminomethylideneamino)-[[4-[(E)-(diaminomethylideneamino)azaniumylidenemethyl]phenyl]methylidene]azanium is not a drug-like molecule.
| MolName | (E)-(diaminomethylideneamino)-[[4-[(E)-(diaminomethylideneamino)azaniumylidenemethyl]phenyl]methylidene]azanium |
| MolecularFormula | C10H16N8 |
| Smiles | NC(N)=N/[NH+]=C/c1ccc(/C=[NH+]/N=C(N)N)cc1 |
| InChI | InChI=1S/C10H14N8/c11-9(12)17-15-5-7-1-2-8(4-3-7)6-16-18-10(13)14/h1-6H,(H4,11,12,17)(H4,13,14,18)/p+2 |
| InChIK | DJQYBCUFGZTQSR-UHFFFAOYSA-P |
| TotalMolweight | 248.293 |
| Molweight | 248.293 |
| MonoisotopicMass | 248.149792 |
| CLogP | 0.854 |
| CLogS | -4.364 |
| H Acceptors | 8 |
| H Donors | 6 |
| TotalSurfaceArea | 179.78 |
| Relative PSA | 0.46779 |
| PolarSurfaceArea | 156.74 |
| Druglikeness | -1.7488 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.77778 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 11 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - (E)-(diaminomethylideneamino)-[[4-[(E)-(diaminomethylideneamino)azaniumylidenemethyl]phenyl]methylidene]azanium | 2 - (E)-(diaminomethylideneamino)-[[4-[(E)-(diaminomethylideneamino)azaniumylidenemethyl]phenyl]methylidene]azanium
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