(Z)-1-(2-chlorophenyl)-N-[(11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]methanimine
Formula:C27H18N5O2Cl
Mutagenic:low
Tumorigenic:none
Reproductive Effective:high
(Z)-1-(2-chlorophenyl)-N-[(11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]methanimine is not a drug-like molecule.
| MolName | (Z)-1-(2-chlorophenyl)-N-[(11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]methanimine |
| MolecularFormula | C27H18N5O2Cl |
| Smiles | Clc1c(/C=N\OCc2nn(cnc3c4c(-c5ccccc5)c(-c5ccccc5)o3)c4n2)cccc1 |
| InChI | InChI=1S/C27H18ClN5O2/c28-21-14-8-7-13-20(21)15-30-34-16-22-31-26-24-23(18-9-3-1-4-10-18)25(19-11-5-2-6-12-19)35-27(24)29-17-33(26)32-22/h1-15,17H,16H2 |
| InChIK | WWTKHGMRQIHQHQ-UHFFFAOYSA-N |
| TotalMolweight | 479.926 |
| Molweight | 479.926 |
| MonoisotopicMass | 479.114902 |
| CLogP | 6.2541 |
| CLogS | -9.729 |
| H Acceptors | 7 |
| TotalSurfaceArea | 362.3 |
| Relative PSA | 0.2111 |
| PolarSurfaceArea | 77.81 |
| Druglikeness | 4.2217 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 30 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-1-(2-chlorophenyl)-N-[(11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]methanimine | 2 - (Z)-1-(2-chlorophenyl)-N-[(11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]methanimine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off