2-(3-bromophenoxy)-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]acetamide
Formula:C18H17N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(3-bromophenoxy)-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(3-bromophenoxy)-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]acetamide |
| MolecularFormula | C18H17N2O2Br |
| Smiles | O=C(COc1cccc(Br)c1)N/N=C(/CCC1)\c2c1cccc2 |
| InChI | InChI=1S/C18H17BrN2O2/c19-14-7-4-8-15(11-14)23-12-18(22)21-20-17-10-3-6-13-5-1-2-9-16(13)17/h1-2,4-5,7-9,11H,3,6,10,12H2,(H,21,22) |
| InChIK | GCYPYHRFJLXOMO-UHFFFAOYSA-N |
| TotalMolweight | 373.249 |
| Molweight | 373.249 |
| MonoisotopicMass | 372.047339 |
| CLogP | 4.1744 |
| CLogS | -5.284 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 255.37 |
| Relative PSA | 0.18017 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -1.4391 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| StereoCon |
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1 - 2-(3-bromophenoxy)-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]acetamide | 2 - 2-(3-bromophenoxy)-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]acetamide
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