Molecule

ID:36159

General Information
Structure
MolImage
Molecular Formula
C₇H₈O₃
Molecular Mass
140.13662
Exact Mass
140.04734412
Charge
0
InChI
InChI=1S/C7H8O3/c1-7(2)3-4(7)6(9)10-5(3)8/h3-4H,1-2H3
InChIKey
QKAHKEDLPBJLFD-UHFFFAOYSA-N
Canonic Smiles
O=C1OC(=O)C2C1C2(C)C
Isomeric Smiles
C12C(C1(C)C)C(=O)OC2=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.50043327
LogD (pH = 7.4)
0.50043327
Log P
0.50043327
Molar Refractivity
32.1011
Polarizability
13.087221
Polar Surface Area
43.37
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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