N-[(Z)-(2,6-dichlorophenyl)methylideneamino]naphthalene-1-carboxamide
Formula:C18H12N2OCl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]naphthalene-1-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(2,6-dichlorophenyl)methylideneamino]naphthalene-1-carboxamide |
| MolecularFormula | C18H12N2OCl2 |
| Smiles | O=C(c1cccc2ccccc12)N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C18H12Cl2N2O/c19-16-9-4-10-17(20)15(16)11-21-22-18(23)14-8-3-6-12-5-1-2-7-13(12)14/h1-11H,(H,22,23) |
| InChIK | MXCIGBOOXLPUFH-UHFFFAOYSA-N |
| TotalMolweight | 343.212 |
| Molweight | 343.212 |
| MonoisotopicMass | 342.032667 |
| CLogP | 5.608 |
| CLogS | -6.799 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 252.43 |
| Relative PSA | 0.14265 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 4.4715 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 3 |
| StereoCon |
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