Molecule

ID:119094

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈O₂
Molecular Mass
170.24872
Exact Mass
170.13067982
Charge
0
InChI
InChI=1S/C10H18O2/c1-4-9(11)8-5-6-12-10(2,3)7-8/h8H,4-7H2,1-3H3
InChIKey
GZZHAALQRNEDQO-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)C1CCOC(C1)(C)C
Isomeric Smiles
C1(OCCC(C(=O)CC)C1)(C)C
Calculated Properties
JChem
Acid pKa
18.46193
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9249731
LogD (pH = 7.4)
1.9249731
Log P
1.9249731
Molar Refractivity
48.6294
Polarizability
19.182886
Polar Surface Area
26.3
Rotatable Bonds
2
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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