Molecule

ID:110645

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀O₂
Molecular Mass
172.2646
Exact Mass
172.14632988
Charge
0
InChI
InChI=1S/C10H20O2/c1-4-7-8-9-10(11-5-2)12-6-3/h8-10H,4-7H2,1-3H3
InChIKey
WMQKYHTZGYIHHD-UHFFFAOYSA-N
Canonic Smiles
CCC/C=C/C(OCC)OCC
Isomeric Smiles
CCC/C=C/C(OCC)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.12409
LogD (pH = 7.4)
3.12409
Log P
3.12409
Molar Refractivity
52.329
Polarizability
20.291527
Polar Surface Area
18.46
Rotatable Bonds
7
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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