(Z)-N-[(10-benzyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]-1-(2-chlorophenyl)methanimine
Formula:C21H16N7OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[(10-benzyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]-1-(2-chlorophenyl)methanimine is a drug-like molecule.
| MolName | (Z)-N-[(10-benzyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]-1-(2-chlorophenyl)methanimine |
| MolecularFormula | C21H16N7OCl |
| Smiles | Clc1c(/C=N\OCc2nn(cnc3c4cnn3Cc3ccccc3)c4n2)cccc1 |
| InChI | InChI=1S/C21H16ClN7O/c22-18-9-5-4-8-16(18)10-25-30-13-19-26-21-17-11-24-28(12-15-6-2-1-3-7-15)20(17)23-14-29(21)27-19/h1-11,14H,12-13H2 |
| InChIK | VKDRSSFTIQOISE-UHFFFAOYSA-N |
| TotalMolweight | 417.859 |
| Molweight | 417.859 |
| MonoisotopicMass | 417.110485 |
| CLogP | 3.1298 |
| CLogS | -5.764 |
| H Acceptors | 8 |
| TotalSurfaceArea | 314.57 |
| Relative PSA | 0.25498 |
| PolarSurfaceArea | 82.49 |
| Druglikeness | 5.237 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 6 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-N-[(10-benzyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]-1-(2-chlorophenyl)methanimine | 2 - (Z)-N-[(10-benzyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]-1-(2-chlorophenyl)methanimine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off