Molecule

ID:79975

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄O₂
Molecular Mass
142.19556
Exact Mass
142.09937969
Charge
0
InChI
InChI=1S/C8H14O2/c9-7(1-2-7)5-6-8(10)3-4-8/h9-10H,1-6H2
InChIKey
XRSPWZSTDUVAJU-UHFFFAOYSA-N
Canonic Smiles
OC1(CCC2(O)CC2)CC1
Isomeric Smiles
OC1(CC1)CCC1(CC1)O
Calculated Properties
JChem
Acid pKa
14.858584
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.14730982
LogD (pH = 7.4)
0.14730981
Log P
0.14730982
Molar Refractivity
38.2652
Polarizability
15.256077
Polar Surface Area
40.46
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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