Molecule

ID:76744

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀O₃
Molecular Mass
142.1525
Exact Mass
142.06299418
Charge
0
InChI
InChI=1S/C7H10O3/c8-7-9-5-3-1-2-4-6(5)10-7/h5-6H,1-4H2
InChIKey
WQVFVJFUDNRICW-UHFFFAOYSA-N
Canonic Smiles
O=C1OC2C(O1)CCCC2
Isomeric Smiles
O1C(=O)OC2C1CCCC2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7847835
LogD (pH = 7.4)
1.7847835
Log P
1.7847835
Molar Refractivity
33.1508
Polarizability
13.690125
Polar Surface Area
35.53
Rotatable Bonds
0
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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