N-[(Z)-anthracen-9-ylmethylideneamino]-3-hydroxynaphthalene-2-carboxamide
Formula:C26H18N2O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-3-hydroxynaphthalene-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-3-hydroxynaphthalene-2-carboxamide |
| MolecularFormula | C26H18N2O2 |
| Smiles | Oc1cc2ccccc2cc1C(N/N=C\c1c(cccc2)c2cc2ccccc12)=O |
| InChI | InChI=1S/C26H18N2O2/c29-25-15-18-8-2-1-7-17(18)14-23(25)26(30)28-27-16-24-21-11-5-3-9-19(21)13-20-10-4-6-12-22(20)24/h1-16,29H,(H,28,30) |
| InChIK | JTPWXRPXSPTQGP-UHFFFAOYSA-N |
| TotalMolweight | 390.441 |
| Molweight | 390.441 |
| MonoisotopicMass | 390.136828 |
| CLogP | 6.4391 |
| CLogS | -8.243 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 297.14 |
| Relative PSA | 0.16528 |
| 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 | 30 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
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