Molecule

ID:56271

General Information
Structure
Molecular Formula
C₅H₁₀O₃
Molecular Mass
118.1311
Exact Mass
118.06299418
Charge
0
InChI
InChI=1S/C5H10O3/c1-5(2,8-3)4(6)7/h1-3H3,(H,6,7)
InChIKey
BKBZFJRHYSCZQA-UHFFFAOYSA-N
Canonic Smiles
COC(C(=O)O)(C)C
Isomeric Smiles
O(C(C)(C)C(=O)O)C
Calculated Properties
JChem
Acid pKa
4.096896
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.8126426
LogD (pH = 7.4)
-2.4968247
Log P
0.60406286
Molar Refractivity
28.3043
Polarizability
11.2225
Polar Surface Area
46.53
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation