- InChI
- InChI=1S/C21H26N2O3S/c1-14(12-22(3)4)13-23-16-8-6-7-9-20(16)27-21-11-19(26-15(2)24)18(25-5)10-17(21)23/h6-11,14H,12-13H2,1-5H3/t14-/m0/s1
- InChI Key
- UUONPBYOPXKDSU-AWEZNQCLSA-N
- Formula
- C21H26N2O3S
- SMILES
-
COc1cc2c(cc1OC(C)=O)Sc1ccccc1N
2CC(C)CN(C)C - Molecular Weight1
- 386.51
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.8602 | Relay (1.0) Calculated Property | |
| ΔfG° | 31.62 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -348.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 118.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 6.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.421 | Crippen Calculated Property | |
| McVol | 297.990 | ml/mol | McGowan Calculated Property |
| Pc | 1375.67 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2747.00 | NIST | |
| Tboil | 730.51 | K | Relay (1.0) Calculated Property |
| Tc | 978.41 | K | Relay (1.0) Calculated Property |
| Tfus | 427.60 | K | Relay (1.0) Calculated Property |
| Vc | 1.059 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Levomepromazine M (HO-), monoacetylated.
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
- Crippen Method
- McGowan Method
- NIST Webbook
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