Molecule

ID:103496

General Information
Structure
MolImage
Molecular Formula
C₂₁H₃₈O₅
Molecular Mass
370.52342
Exact Mass
370.27192432
Charge
0
InChI
InChI=1S/C14H26O3.C7H12O2/c1-3-4-5-6-11(15)7-8-12-10(2)13(16)9-14(12)17;1-2-3-4-5-6-7(8)9/h7-8,10-17H,3-6,9H2,1-2H3;2-3H,4-6H2,1H3,(H,8,9)
InChIKey
GVSLYVCHDOLEPD-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(/C=C/C1C(O)CC(C1C)O)O.C/C=C/CCCC(=O)O
Isomeric Smiles
CCCCCC(O)/C=C/C1C(O)CC(O)C1C.C/C=C/CCCC(=O)O
Calculated Properties
JChem
Acid pKa
14.523469
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.6258059
LogD (pH = 7.4)
1.6258059
Log P
1.6258059
Molar Refractivity
70.0827
Polarizability
27.402054
Polar Surface Area
60.69
Rotatable Bonds
10
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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