Molecule

ID:128043

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₈O₃
Molecular Mass
326.51392
Exact Mass
326.28209508
Charge
0
InChI
InChI=1S/C20H38O3/c1-2-3-4-13-16-19(21)17-14-11-9-7-5-6-8-10-12-15-18-20(22)23/h11,14,19,21H,2-10,12-13,15-18H2,1H3,(H,22,23)/b14-11-/t19-/m1/s1
InChIKey
OONXYOAWMIVMCI-KWRJMZDGSA-N
Canonic Smiles
CCCCCC[C@H](C/C=C\CCCCCCCCCC(=O)O)O
Isomeric Smiles
O=C(O)CCCCCCCCC/C=C\C[C@H](O)CCCCCC
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
5.6304116
LogD (pH = 7.4)
3.8712766
Log P
6.286217
Molar Refractivity
98.2737
Polarizability
38.45602
Polar Surface Area
57.53
Rotatable Bonds
17
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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