N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-phenylacetamide
Formula:C18H18N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-phenylacetamide is a drug-like molecule.
| MolName | N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-phenylacetamide |
| MolecularFormula | C18H18N2O |
| Smiles | O=C(Cc1ccccc1)N/N=C(\CCC1)/c2c1cccc2 |
| InChI | InChI=1S/C18H18N2O/c21-18(13-14-7-2-1-3-8-14)20-19-17-12-6-10-15-9-4-5-11-16(15)17/h1-5,7-9,11H,6,10,12-13H2,(H,20,21) |
| InChIK | QLFHSDINSHVFIY-UHFFFAOYSA-N |
| TotalMolweight | 278.354 |
| Molweight | 278.354 |
| MonoisotopicMass | 278.141913 |
| CLogP | 3.8724 |
| CLogS | -4.635 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 226.74 |
| Relative PSA | 0.15882 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 0.5791 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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