(Z)-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]-1-phenylmethanimine
Formula:C27H19N5O2
Mutagenic:low
Tumorigenic:none
Reproductive Effective:high
(Z)-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]-1-phenylmethanimine is not a drug-like molecule.
| MolName | (Z)-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]-1-phenylmethanimine |
| MolecularFormula | C27H19N5O2 |
| Smiles | C(c1nn(cnc2c3c(-c4ccccc4)c(-c4ccccc4)o2)c3n1)O/N=C\c1ccccc1 |
| InChI | InChI=1S/C27H19N5O2/c1-4-10-19(11-5-1)16-29-33-17-22-30-26-24-23(20-12-6-2-7-13-20)25(21-14-8-3-9-15-21)34-27(24)28-18-32(26)31-22/h1-16,18H,17H2 |
| InChIK | MPRFJERJJOVHRU-UHFFFAOYSA-N |
| TotalMolweight | 445.481 |
| Molweight | 445.481 |
| MonoisotopicMass | 445.153875 |
| CLogP | 5.6481 |
| CLogS | -8.993 |
| H Acceptors | 7 |
| TotalSurfaceArea | 346.88 |
| Relative PSA | 0.22048 |
| PolarSurfaceArea | 77.81 |
| Druglikeness | 4.1755 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 30 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-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]-1-phenylmethanimine | 2 - (Z)-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]-1-phenylmethanimine
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