Molecule

ID:90888

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈O₄
Molecular Mass
204.17882
Exact Mass
204.04225874
Charge
0
InChI
InChI=1S/C11H8O4/c12-11(13)10-6-9(7-14-10)15-8-4-2-1-3-5-8/h1-7H,(H,12,13)
InChIKey
APSCPDDQKUPMCQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1occ(c1)Oc1ccccc1
Isomeric Smiles
o1cc(Oc2ccccc2)cc1C(=O)O
Calculated Properties
JChem
Acid pKa
3.0830698
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.19494212
LogD (pH = 7.4)
-1.2724973
Log P
2.1913626
Molar Refractivity
51.9459
Polarizability
19.897398
Polar Surface Area
59.67
Rotatable Bonds
3
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
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References
Bioactivity
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