Molecule

ID:112239

General Information
Structure
Molecular Formula
C₁₈H₃₂O₇
Molecular Mass
360.44248
Exact Mass
360.21480336
Charge
0
InChI
InChI=1S/C18H32O7/c1-4-7-10-23-15(19)13-18(22,17(21)25-12-9-6-3)14-16(20)24-11-8-5-2/h22H,4-14H2,1-3H3
InChIKey
ZFOZVQLOBQUTQQ-UHFFFAOYSA-N
Canonic Smiles
CCCCOC(=O)C(CC(=O)OCCCC)(CC(=O)OCCCC)O
Isomeric Smiles
CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC
Calculated Properties
JChem
Acid pKa
11.81889
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.320025
LogD (pH = 7.4)
3.3200085
Log P
3.0866919
Molar Refractivity
91.552
Polarizability
36.879593
Polar Surface Area
99.13
Rotatable Bonds
17
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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