N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
Formula:C18H12N2O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide |
| MolecularFormula | C18H12N2O2Cl2 |
| Smiles | Oc1cc2ccccc2cc1C(N/N=C\c(cc1)cc(Cl)c1Cl)=O |
| InChI | InChI=1S/C18H12Cl2N2O2/c19-15-6-5-11(7-16(15)20)10-21-22-18(24)14-8-12-3-1-2-4-13(12)9-17(14)23/h1-10,23H,(H,22,24) |
| InChIK | XPNXXSSRJRBGNH-UHFFFAOYSA-N |
| TotalMolweight | 359.211 |
| Molweight | 359.211 |
| MonoisotopicMass | 358.027582 |
| CLogP | 5.2623 |
| CLogS | -6.503 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 258.78 |
| Relative PSA | 0.18978 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 4.4298 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| StereoCon |
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