- InChI
- InChI=1S/C6H3ClN4/c7-5-2-9-4-1-8-3-10-6(4)11-5/h1-3H
- InChI Key
- AANUQVPVSJJCRI-UHFFFAOYSA-N
- Formula
- C6H3ClN4
- SMILES
- Clc1cnc2cncnc2n1
- Molecular Weight1
- 166.57
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | [-0.88; -0.87] |
|
|
| log10WS | -0.87 | Aq. Sol... | |
| log10WS | -0.88 | Rytting... | |
| logPoct/wat | 1.073 | Crippen Calculated Property | |
| McVol | 104.340 | ml/mol | McGowan Calculated Property |
Similar Compounds
Find more compounds similar to 7-Chloropteridine.
Sources
- Crippen Method
- Aqueous Solubility Prediction Method
- Aqueous and cosolvent solubility data for drug-like organic compounds
- McGowan Method
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