- InChI
- InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)
- InChI Key
- ZZUFCTLCJUWOSV-UHFFFAOYSA-N
- Formula
- C12H11ClN2O5S
- SMILES
-
NS(=O)(=O)c1cc(C(=O)O)c(NCc2cc
co2)cc1Cl - Molecular Weight1
- 330.75
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.9902 | Relay (1.0) Calculated Property | |
| ΔfG° | -292.98 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -618.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 133.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.03 | eV | Relay (1.0) Calculated Property |
| log10WS | [-4.23; -3.78] |
|
|
| log10WS | -3.78 | Aq. Solubility Prediction | |
| log10WS | -4.23 | Aq. Solubility Prediction | |
| logPoct/wat | 1.891 | Crippen Calculated Property | |
| McVol | 210.320 | ml/mol | McGowan Calculated Property |
| Pc | 3175.84 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 689.50 | K | Relay (1.0) Calculated Property |
| Tc | 1050.33 | K | Relay (1.0) Calculated Property |
| Tfus | [496.79; 496.79] | K |
|
| Tfus | 496.79 | K | Aq. Solubility Prediction |
| Tfus | 496.79 | K | Aq. Solubility Prediction |
| Vc | 0.738 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to furosemide.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Aqueous Solubility Prediction Method
- Aqueous Solubility Prediction Method
- McGowan Method
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