- InChI
- InChI=1S/C26H20N6O/c27-19-7-3-1-5-17(19)25-29-21-11-9-15(13-23(21)31-25)33-16-10-12-22-24(14-16)32-26(30-22)18-6-2-4-8-20(18)28/h1-14H,27-28H2,(H,29,31)(H,30,32)
- InChI Key
- FZSYQUANOMQFJO-UHFFFAOYSA-N
- Formula
- C26H20N6O
- SMILES
-
Nc1ccccc1-c1nc2ccc(Oc3ccc4nc(-
c5ccccc5N)[nH]c4c3)cc2[nH]1 - Molecular Weight1
- 432.48
- CAS
- 25829-64-5
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -13191.00 ± 6.00 | kJ/mol | NIST |
| ΔfH°solid | 102.00 ± 10.00 | kJ/mol | NIST |
| log10WS | -9.16 | Crippen Calculated Property | |
| logPoct/wat | 4.766 | Crippen Calculated Property | |
| McVol | 317.590 | ml/mol | McGowan Calculated Property |
Similar Compounds
Find more compounds similar to Bis-(o-aminophenyl)-2,2'-dibezimidazole oxide.
Sources
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