N-[(Z)-anthracen-9-ylmethylideneamino]-2-hydroxybenzamide
Formula:C22H16N2O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-2-hydroxybenzamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-hydroxybenzamide |
| MolecularFormula | C22H16N2O2 |
| Smiles | Oc(cccc1)c1C(N/N=C\c1c(cccc2)c2cc2ccccc12)=O |
| InChI | InChI=1S/C22H16N2O2/c25-21-12-6-5-11-19(21)22(26)24-23-14-20-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)20/h1-14,25H,(H,24,26) |
| InChIK | BXZDRKFRQXHTPG-UHFFFAOYSA-N |
| TotalMolweight | 340.381 |
| Molweight | 340.381 |
| MonoisotopicMass | 340.121178 |
| CLogP | 5.2447 |
| CLogS | -6.637 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 262.54 |
| Relative PSA | 0.18706 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 4.4204 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
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