- InChI
- InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3
- InChI Key
- POZRVZJJTULAOH-UHFFFAOYSA-N
- Formula
- C22H27NO2
- SMILES
-
C#CC1(O)CCC2C3CCC4=Cc5oncc5CC4
(C)C3CCC21C - Molecular Weight1
- 337.46
- Other Names
-
- danazol
- 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 | [-5.51; -5.51] |
|
|
| log10WS | -5.51 | Aq. Sol... | |
| log10WS | -5.51 | Estimat... | |
| log10WS | -5.51 | Rytting... | |
| logPoct/wat | 4.221 | Crippen Calculated Property | |
| McVol | 266.760 | ml/mol | McGowan Calculated Property |
| Tfus | 498.75 | K | Aq. Sol... |
Similar Compounds
Find more compounds similar to MLS003115428.
Sources
- Crippen Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- Aqueous and cosolvent solubility data for drug-like organic compounds
- McGowan Method
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