Molecule

ID:79447

General Information
Structure
Molecular Formula
C₉H₁₈O
Molecular Mass
142.23862
Exact Mass
142.1357652
Charge
0
InChI
InChI=1S/C9H18O/c1-2-3-8-4-6-9(10)7-5-8/h8-10H,2-7H2,1H3
InChIKey
YVPZFPKENDZQEJ-UHFFFAOYSA-N
Canonic Smiles
CCCC1CCC(CC1)O
Isomeric Smiles
OC1CCC(CC1)CCC
Calculated Properties
JChem
Acid pKa
18.082523
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.4568498
LogD (pH = 7.4)
2.4568498
Log P
2.4568498
Molar Refractivity
43.0261
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
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Molecule Details
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References
Bioactivity
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