N-(3,4-dichlorophenyl)-N'-[(Z)-naphthalen-1-ylmethylideneamino]propanediamide
Formula:C20H15N3O2Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-(3,4-dichlorophenyl)-N'-[(Z)-naphthalen-1-ylmethylideneamino]propanediamide is not a drug-like molecule.
| MolName | N-(3,4-dichlorophenyl)-N'-[(Z)-naphthalen-1-ylmethylideneamino]propanediamide |
| MolecularFormula | C20H15N3O2Cl2 |
| Smiles | O=C(CC(N/N=C\c1cccc2ccccc12)=O)Nc(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C20H15Cl2N3O2/c21-17-9-8-15(10-18(17)22)24-19(26)11-20(27)25-23-12-14-6-3-5-13-4-1-2-7-16(13)14/h1-10,12H,11H2,(H,24,26)(H,25,27) |
| InChIK | UKGOXABGJLPQOM-UHFFFAOYSA-N |
| TotalMolweight | 400.264 |
| Molweight | 400.264 |
| MonoisotopicMass | 399.054131 |
| CLogP | 5.0047 |
| CLogS | -6.873 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 295.4 |
| Relative PSA | 0.20484 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 2.0716 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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