N-[(4-chlorophenyl)methyl]-N'-[(Z)-naphthalen-1-ylmethylideneamino]oxamide
Formula:C20H16N3O2Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(4-chlorophenyl)methyl]-N'-[(Z)-naphthalen-1-ylmethylideneamino]oxamide is a drug-like molecule.
| MolName | N-[(4-chlorophenyl)methyl]-N'-[(Z)-naphthalen-1-ylmethylideneamino]oxamide |
| MolecularFormula | C20H16N3O2Cl |
| Smiles | O=C(C(N/N=C\c1cccc2ccccc12)=O)NCc(cc1)ccc1Cl |
| InChI | InChI=1S/C20H16ClN3O2/c21-17-10-8-14(9-11-17)12-22-19(25)20(26)24-23-13-16-6-3-5-15-4-1-2-7-18(15)16/h1-11,13H,12H2,(H,22,25)(H,24,26) |
| InChIK | DYWAHUQQRBTSTK-UHFFFAOYSA-N |
| TotalMolweight | 365.819 |
| Molweight | 365.819 |
| MonoisotopicMass | 365.093104 |
| CLogP | 3.6537 |
| CLogS | -5.683 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 279.98 |
| Relative PSA | 0.21612 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 4.0659 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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