| MolName | (Z)-1-phenyl-N-[(10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]methanimine |
| MolecularFormula | C20H15N7O |
| Smiles | C(c1nn(cnc2c3cnn2-c2ccccc2)c3n1)O/N=C\c1ccccc1 |
| InChI | InChI=1S/C20H15N7O/c1-3-7-15(8-4-1)11-23-28-13-18-24-20-17-12-22-27(16-9-5-2-6-10-16)19(17)21-14-26(20)25-18/h1-12,14H,13H2 |
| InChIK | FARRGQXYLKTDEL-UHFFFAOYSA-N |
| TotalMolweight | 369.387 |
| Molweight | 369.387 |
| MonoisotopicMass | 369.133808 |
| CLogP | 2.2728 |
| CLogS | -5.206 |
| H Acceptors | 8 |
| TotalSurfaceArea | 285.39 |
| Relative PSA | 0.28105 |
| PolarSurfaceArea | 82.49 |
| Druglikeness | 4.6303 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 6 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-1-phenyl-N-[(10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]methanimine | 2 - (Z)-1-phenyl-N-[(10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]methanimine