Molecule

ID:105744

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₆O₅
Molecular Mass
322.39604
Exact Mass
322.17802393
Charge
0
InChI
InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3
InChIKey
DWTTZBARDOXEAM-UHFFFAOYSA-N
Canonic Smiles
OC1CCCCCc2cc(O)cc(c2C(=O)OC(CCC1)C)O
Isomeric Smiles
CC1CCCC(O)CCCCCc2cc(O)cc(O)c2C(=O)O1
Calculated Properties
JChem
Acid pKa
8.677322
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
4.4456
LogD (pH = 7.4)
4.423684
Log P
4.4458866
Molar Refractivity
88.251
Polarizability
34.207417
Polar Surface Area
86.99
Rotatable Bonds
0
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
References
Bioactivity
Navigation