(E)-(4-cyanophenyl)methylidene-(diaminomethylideneamino)azanium
Formula:C9H10N5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-(4-cyanophenyl)methylidene-(diaminomethylideneamino)azanium is a drug-like molecule.
| MolName | (E)-(4-cyanophenyl)methylidene-(diaminomethylideneamino)azanium |
| MolecularFormula | C9H10N5 |
| Smiles | NC(N)=N/[NH+]=C/c(cc1)ccc1C#N |
| InChI | InChI=1S/C9H9N5/c10-5-7-1-3-8(4-2-7)6-13-14-9(11)12/h1-4,6H,(H4,11,12,14)/p+1 |
| InChIK | AHDLOWPJHUIHGF-UHFFFAOYSA-O |
| TotalMolweight | 188.213 |
| Molweight | 188.213 |
| MonoisotopicMass | 188.09362 |
| CLogP | 1.0924 |
| CLogS | -3.763 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 148.23 |
| Relative PSA | 0.37516 |
| PolarSurfaceArea | 102.16 |
| Druglikeness | -6.0288 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.78571 |
| Fragments | 1 |
| Non HAtoms | 14 |
| 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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