- InChI
- InChI=1S/C14H14N4O/c1-3-18-12-10(6-4-8-15-12)14(19)17(2)11-7-5-9-16-13(11)18/h4-9H,3H2,1-2H3
- InChI Key
- SVFKQHLOBRUZGV-UHFFFAOYSA-N
- Formula
- C14H14N4O
- SMILES
- CCN1c2ncccc2C(=O)N(C)c2cccnc21
- Molecular Weight1
- 254.29
- Other Names
-
- 132312-85-7
- 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 | 0.6789 | Relay (... Calculated Property | |
| ΔfG° | 299.44 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 96.03 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 98.33 | kJ/mol | Relay (... Calculated Property |
| IE | 7.83 | eV | Relay (... Calculated Property |
| log10WS | [-2.62; -2.62] |
|
|
| log10WS | -2.62 | Aq. Sol... | |
| log10WS | -2.62 | Estimat... | |
| logPoct/wat | 2.225 | Crippen Calculated Property | |
| McVol | 191.230 | ml/mol | McGowan Calculated Property |
| Pc | 3013.31 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 665.80 | K | Relay (... Calculated Property |
| Tc | 1000.93 | K | Relay (... Calculated Property |
| Tfus | 440.82 | K | Relay (... Calculated Property |
| Vc | 0.711 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Reverse Transcriptase inhibitor 1.
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
- Estimated Solubility Method
- McGowan Method
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