Molecule

ID:128848

General Information
Structure
MolImage
Molecular Formula
C₇H₈O₃
Molecular Mass
140.13662
Exact Mass
140.04734412
Charge
0
InChI
InChI=1S/C7H8O3/c1-5(2)7(9)4-3-6(8)10-7/h3-4,9H,1H2,2H3
InChIKey
LAINVTIQNBIOEN-UHFFFAOYSA-N
Canonic Smiles
CC(=C)C1(O)OC(=O)C=C1
Isomeric Smiles
CC(=C)C1(C=CC(=O)O1)O
Calculated Properties
JChem
Acid pKa
10.92563
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3813081
LogD (pH = 7.4)
1.3811804
Log P
1.3813097
Molar Refractivity
35.8296
Polarizability
13.83092
Polar Surface Area
46.53
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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