N-[(Z)-anthracen-9-ylmethylideneamino]-2-phenylmethoxybenzamide
Formula:C29H22N2O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-2-phenylmethoxybenzamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-phenylmethoxybenzamide |
| MolecularFormula | C29H22N2O2 |
| Smiles | O=C(c(cccc1)c1OCc1ccccc1)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C29H22N2O2/c32-29(26-16-8-9-17-28(26)33-20-21-10-2-1-3-11-21)31-30-19-27-24-14-6-4-12-22(24)18-23-13-5-7-15-25(23)27/h1-19H,20H2,(H,31,32) |
| InChIK | QLISUXYDJRPTNQ-UHFFFAOYSA-N |
| TotalMolweight | 430.506 |
| Molweight | 430.506 |
| MonoisotopicMass | 430.168128 |
| CLogP | 6.9385 |
| CLogS | -8.274 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 339.71 |
| Relative PSA | 0.13544 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 4.0205 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| StereoCon |
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