Molecule

ID:110435

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈O₄
Molecular Mass
202.24752
Exact Mass
202.12050906
Charge
0
InChI
InChI=1S/C10H18O4/c1-4-7-8(9(11)13-5-2)10(12)14-6-3/h8H,4-7H2,1-3H3
InChIKey
GRRSDGHTSMJICM-UHFFFAOYSA-N
Canonic Smiles
CCCC(C(=O)OCC)C(=O)OCC
Isomeric Smiles
CCCC(C(=O)OCC)C(=O)OCC
Calculated Properties
JChem
Acid pKa
14.461792
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1064103
LogD (pH = 7.4)
2.1064103
Log P
2.1064103
Molar Refractivity
51.7997
Polarizability
20.722631
Polar Surface Area
52.6
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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