N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
Formula:C19H15N3OCl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide |
| MolecularFormula | C19H15N3OCl2 |
| Smiles | O=C(CNc1cccc2ccccc12)N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C19H15Cl2N3O/c20-16-8-4-9-17(21)15(16)11-23-24-19(25)12-22-18-10-3-6-13-5-1-2-7-14(13)18/h1-11,22H,12H2,(H,24,25) |
| InChIK | UQHIURMBPPFHBY-UHFFFAOYSA-N |
| TotalMolweight | 372.254 |
| Molweight | 372.254 |
| MonoisotopicMass | 371.059216 |
| CLogP | 4.8999 |
| CLogS | -6.621 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 277.65 |
| Relative PSA | 0.17097 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | 5.0457 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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