- InChI
- InChI=1S/C21H24ClN5O3/c1-16(28)30-19-7-6-17(15-18(19)22)25-13-11-24(12-14-25)8-4-10-27-21(29)26-9-3-2-5-20(26)23-27/h2-3,5-7,9,15H,4,8,10-14H2,1H3
- InChI Key
- GWYAWMGTBHKZSP-UHFFFAOYSA-N
- Formula
- C21H24ClN5O3
- SMILES
-
CC(=O)Oc1ccc(N2CCN(CCCn3nc4ccc
cn4c3=O)CC2)cc1Cl - Molecular Weight1
- 429.90
- 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 | 1.0037 | Relay (... Calculated Property | |
| ΔfG° | 265.54 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -189.37 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 154.36 | kJ/mol | Relay (... Calculated Property |
| IE | 7.94 | eV | Relay (... Calculated Property |
| log10WS | -3.70 | Relay (... Calculated Property | |
| logPoct/wat | 2.287 | Crippen Calculated Property | |
| McVol | 308.660 | ml/mol | McGowan Calculated Property |
| Pc | 1311.51 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 3380.00 | NIST | |
| Tboil | 759.67 | K | Relay (... Calculated Property |
| Tc | 1104.48 | K | Relay (... Calculated Property |
| Tfus | 408.19 | K | Relay (... Calculated Property |
| Vc | 1.140 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Trazodone M(HO), acetylated.
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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