Molecule

ID:111375

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀O
Molecular Mass
156.2652
Exact Mass
156.15141526
Charge
0
InChI
InChI=1S/C10H20O/c1-8(2)9-4-6-10(3,11)7-5-9/h8-9,11H,4-7H2,1-3H3
InChIKey
CMLYGGFIXXLYQT-UHFFFAOYSA-N
Canonic Smiles
CC(C1CCC(CC1)(C)O)C
Isomeric Smiles
CC(C)C1CCC(C)(O)CC1
Calculated Properties
JChem
LogD (pH = 7.4)
2.58
LogD (pH = 5.5)
2.58
Log P
2.58
Rotatable Bonds
1
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-1.08
Polar Surface Area
20.23
Polarizability
19.58
Molar Refractivity
47.61
LOG S
-2.55
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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