- InChI
- InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)
- InChI Key
- OPXLLQIJSORQAM-UHFFFAOYSA-N
- Formula
- C16H13N3O3
- SMILES
-
COC(=O)Nc1nc2ccc(C(=O)c3ccccc3
)cc2[nH]1 - Molecular Weight1
- 295.30
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | [-3.88; -3.55] |
|
|
| log10WS | -3.55 | Aq. Sol... | |
| log10WS | -3.88 | Estimat... | |
| logPoct/wat | 2.490 | Crippen Calculated Property | |
| McVol | 212.570 | ml/mol | McGowan Calculated Property |
| Tfus | 561.65 | K | Aq. Sol... |
Similar Compounds
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Sources
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