Molecule

ID:112726

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈O
Molecular Mass
142.23862
Exact Mass
142.1357652
Charge
0
InChI
InChI=1S/C9H18O/c1-2-6-9(10)7-4-3-5-8-9/h10H,2-8H2,1H3
InChIKey
PYLPYOPJKOJRNP-UHFFFAOYSA-N
Canonic Smiles
CCCC1(O)CCCCC1
Isomeric Smiles
CCCC1(O)CCCCC1
Calculated Properties
JChem
Acid pKa
19.819828
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.5283608
LogD (pH = 7.4)
2.528361
Log P
2.528361
Molar Refractivity
43.0387
Polarizability
17.201416
Polar Surface Area
20.23
Rotatable Bonds
2
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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