- InChI
- InChI=1S/C17H17N3O/c1-19-9-10-20-15(11-19)12-5-2-3-6-13(12)16(21)14-7-4-8-18-17(14)20/h2-8,15H,9-11H2,1H3
- InChI Key
- RZDFSDWHGNDESU-UHFFFAOYSA-N
- Formula
- C17H17N3O
- SMILES
-
CN1CCN2c3ncccc3C(=O)c3ccccc3C2
C1 - Molecular Weight1
- 279.34
- 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 | 0.6282 | Relay (1.0) Calculated Property | |
| ΔfG° | 317.64 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 167.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 112.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.119 | Crippen Calculated Property | |
| McVol | 212.660 | ml/mol | McGowan Calculated Property |
| Pc | 2373.67 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2655.00 | NIST | |
| Tboil | 694.61 | K | Relay (1.0) Calculated Property |
| Tc | 1019.76 | K | Relay (1.0) Calculated Property |
| Tfus | 447.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.769 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Mirtazapine-M (oxo-).
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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