Molecule

ID:77201

General Information
Structure
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Molecular Formula
C₁₀H₂₀O₃
Molecular Mass
188.264
Exact Mass
188.1412445
Charge
0
InChI
InChI=1S/C10H20O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h11H,1-9H2,(H,12,13)
InChIKey
YJCJVMMDTBEITC-UHFFFAOYSA-N
Canonic Smiles
OCCCCCCCCCC(=O)O
Isomeric Smiles
OCCCCCCCCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-0.26
LogD (pH = 5.5)
1.50
Log P
2.15
Rotatable Bonds
9
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
4.95
Polar Surface Area
57.53
Polarizability
22.63
Molar Refractivity
51.41
LOG S
-1.87
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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