Molecule

ID:128787

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀O₂
Molecular Mass
172.2646
Exact Mass
172.14632988
Charge
0
InChI
InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3
InChIKey
LMXFTMYMHGYJEI-UHFFFAOYSA-N
Canonic Smiles
CC1CCC(C(C1)O)C(O)(C)C
Isomeric Smiles
OC(C1CCC(CC1O)C)(C)C
Calculated Properties
JChem
LogD (pH = 7.4)
1.23
LogD (pH = 5.5)
1.23
Log P
1.23
Rotatable Bonds
1
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
14.61
Polar Surface Area
40.46
Polarizability
20.41
Molar Refractivity
49.18
LOG S
-1.66
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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