(E)-(diaminomethylideneamino)-[(3-phenylmethoxyphenyl)methylidene]azanium
Formula:C15H17N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-(diaminomethylideneamino)-[(3-phenylmethoxyphenyl)methylidene]azanium is a drug-like molecule.
| MolName | (E)-(diaminomethylideneamino)-[(3-phenylmethoxyphenyl)methylidene]azanium |
| MolecularFormula | C15H17N4O |
| Smiles | NC(N)=N/[NH+]=C/c1cccc(OCc2ccccc2)c1 |
| InChI | InChI=1S/C15H16N4O/c16-15(17)19-18-10-13-7-4-8-14(9-13)20-11-12-5-2-1-3-6-12/h1-10H,11H2,(H4,16,17,19)/p+1 |
| InChIK | OYMSXHFUKGKODW-UHFFFAOYSA-O |
| TotalMolweight | 269.327 |
| Molweight | 269.327 |
| MonoisotopicMass | 269.140236 |
| CLogP | 2.6049 |
| CLogS | -4.331 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 210.04 |
| Relative PSA | 0.24781 |
| PolarSurfaceArea | 87.6 |
| Druglikeness | -1.8655 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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