Molecule

ID:112533

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄O₂
Molecular Mass
130.18486
Exact Mass
130.09937969
Charge
0
InChI
InChI=1S/C7H14O2/c1-4-7(3)8-5-6(2)9-7/h6H,4-5H2,1-3H3
InChIKey
MMEAMWZNWXLIIZ-UHFFFAOYSA-N
Canonic Smiles
CCC1(C)OCC(O1)C
Isomeric Smiles
CCC1(C)OCC(C)O1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5471936
LogD (pH = 7.4)
1.5471936
Log P
1.5471936
Molar Refractivity
35.6482
Polarizability
14.282731
Polar Surface Area
18.46
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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