Molecule
ID:33753
General Information
Molecular Formula
C₇H₈O₄
Molecular Mass
156.13602
Exact Mass
156.04225874
Charge
0
InChI
InChI=1S/C7H8O4/c1-10-7(9)6-3-2-5(4-8)11-6/h2-3,8H,4H2,1H3
InChIKey
GCVVHNKBMLQFCY-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(o1)CO
Isomeric Smiles
c1(oc(cc1)CO)C(=O)OC
Calculated Properties
JChem
Acid pKa
13.586151
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.18962078
LogD (pH = 7.4)
0.1896205
Log P
0.18962078
Molar Refractivity
37.1676
Polarizability
14.195584
Polar Surface Area
59.67
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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