(E)-(diaminomethylideneamino)-[[4-(N-phenylanilino)phenyl]methylidene]azanium
Formula:C20H20N5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-(diaminomethylideneamino)-[[4-(N-phenylanilino)phenyl]methylidene]azanium is a drug-like molecule.
| MolName | (E)-(diaminomethylideneamino)-[[4-(N-phenylanilino)phenyl]methylidene]azanium |
| MolecularFormula | C20H20N5 |
| Smiles | NC(N)=N/[NH+]=C/c(cc1)ccc1N(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C20H19N5/c21-20(22)24-23-15-16-11-13-19(14-12-16)25(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H,(H4,21,22,24)/p+1 |
| InChIK | OOGLJFRWZVHCDY-UHFFFAOYSA-O |
| TotalMolweight | 330.414 |
| Molweight | 330.414 |
| MonoisotopicMass | 330.17187 |
| CLogP | 3.8512 |
| CLogS | -7.166 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 256.34 |
| Relative PSA | 0.17789 |
| PolarSurfaceArea | 81.61 |
| Druglikeness | -0.1231 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 11 |
| Amines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (E)-(diaminomethylideneamino)-[[4-(N-phenylanilino)phenyl]methylidene]azanium | 2 - (E)-(diaminomethylideneamino)-[[4-(N-phenylanilino)phenyl]methylidene]azanium
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