N-[(Z)-(2-chlorophenyl)methylideneamino]naphthalene-2-carboxamide
Formula:C18H13N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chlorophenyl)methylideneamino]naphthalene-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-chlorophenyl)methylideneamino]naphthalene-2-carboxamide |
| MolecularFormula | C18H13N2OCl |
| Smiles | O=C(c1cc2ccccc2cc1)N/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C18H13ClN2O/c19-17-8-4-3-7-16(17)12-20-21-18(22)15-10-9-13-5-1-2-6-14(13)11-15/h1-12H,(H,21,22) |
| InChIK | JTIXGDKXDFDCFT-UHFFFAOYSA-N |
| TotalMolweight | 308.767 |
| Molweight | 308.767 |
| MonoisotopicMass | 308.07164 |
| CLogP | 5.002 |
| CLogS | -6.063 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 237.01 |
| Relative PSA | 0.15193 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 4.4715 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| StereoCon |
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