Molecule

ID:112003

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂O
Molecular Mass
158.28108
Exact Mass
158.16706532
Charge
0
InChI
InChI=1S/C10H22O/c1-4-6-8-10(3,11)9-7-5-2/h11H,4-9H2,1-3H3
InChIKey
AGSIGVZAVLOKLP-UHFFFAOYSA-N
Canonic Smiles
CCCCC(CCCC)(O)C
Isomeric Smiles
CCCCC(C)(O)CCCC
Calculated Properties
JChem
Acid pKa
19.302498
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.358702
LogD (pH = 7.4)
3.358702
Log P
3.358702
Molar Refractivity
49.5189
Polarizability
19.78336
Polar Surface Area
20.23
Rotatable Bonds
6
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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