Molecule

ID:64778

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀O₃
Molecular Mass
142.1525
Exact Mass
142.06299418
Charge
0
InChI
InChI=1S/C7H10O3/c1-9-7(8)6-2-4-10-5-3-6/h2H,3-5H2,1H3
InChIKey
CNYKIGVYXIGUHQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1=CCOCC1
Isomeric Smiles
C1C=C(CCO1)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.58318263
LogD (pH = 7.4)
0.58318263
Log P
0.58318263
Molar Refractivity
36.8854
Polarizability
14.148885
Polar Surface Area
35.53
Rotatable Bonds
2
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
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References
Bioactivity
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