- InChI
- InChI=1S/C15H17N7O5S3/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25)/t13-,15+/m1/s1
- InChI Key
- SNBUBQHDYVFSQF-HIFRSBDPSA-N
- Formula
- C15H17N7O5S3
- SMILES
-
COC1(NC(=O)CSCC#N)C(=O)N2C(C(=
O)O)=C(CSc3nnnn3C)CSC21 - Molecular Weight1
- 471.55
- Other Names
-
- (6R,7S)-7-(2-((cyanomethyl)thio)acetamido)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -2.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.728 | Crippen Calculated Property | |
| McVol | 303.490 | ml/mol | McGowan Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Similar Compounds
Find more compounds similar to Cefmetazole.
Mixtures
- Methyl Alcohol + Water + Cefmetazole
- Ethanol + Water + Cefmetazole
- 2-Propanol + Water + Cefmetazole
- Methyl Alcohol + Cefmetazole
- Ethanol + Cefmetazole
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
- Correlation and thermodynamic analysis of solubility of cefmetazole acid in three (alcohol + water) binary solvents at temperatures from 278.15 K to 303.15 K
- McGowan Method
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.