(Z)-1-(2-chlorophenyl)-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
Formula:C20H14N7OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(2-chlorophenyl)-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 is a drug-like molecule.
| MolName | (Z)-1-(2-chlorophenyl)-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 | C20H14N7OCl |
| Smiles | Clc1c(/C=N\OCc2nn(cnc3c4cnn3-c3ccccc3)c4n2)cccc1 |
| InChI | InChI=1S/C20H14ClN7O/c21-17-9-5-4-6-14(17)10-24-29-12-18-25-20-16-11-23-28(15-7-2-1-3-8-15)19(16)22-13-27(20)26-18/h1-11,13H,12H2 |
| InChIK | LHQNTSMFVFIOLU-UHFFFAOYSA-N |
| TotalMolweight | 403.832 |
| Molweight | 403.832 |
| MonoisotopicMass | 403.094835 |
| CLogP | 2.8788 |
| CLogS | -5.942 |
| H Acceptors | 8 |
| TotalSurfaceArea | 300.81 |
| Relative PSA | 0.26665 |
| PolarSurfaceArea | 82.49 |
| Druglikeness | 4.6605 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 6 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-1-(2-chlorophenyl)-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-(2-chlorophenyl)-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
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