Molecule

ID:110963

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄O
Molecular Mass
126.19616
Exact Mass
126.10446507
Charge
0
InChI
InChI=1S/C8H14O/c9-5-8-4-6-1-2-7(8)3-6/h6-9H,1-5H2
InChIKey
LWHKUVOYICRGGR-UHFFFAOYSA-N
Canonic Smiles
OCC1CC2CC1CC2
Isomeric Smiles
OCC1CC2CCC1C2
Calculated Properties
JChem
Acid pKa
17.833263
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.2614498
LogD (pH = 7.4)
1.2614498
Log P
1.2614498
Molar Refractivity
36.7003
Polarizability
14.624914
Polar Surface Area
20.23
Rotatable Bonds
1
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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