Molecule

ID:73548

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈O₅
Molecular Mass
208.16752
Exact Mass
208.03717336
Charge
0
InChI
InChI=1S/C10H8O5/c11-7-3-1-2-6(4-7)8(12)5-9(13)10(14)15/h1-5,11-12H,(H,14,15)
InChIKey
BKMYVWDEXQTAGB-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc(c1)/C(=C/C(=O)C(=O)O)/O
Isomeric Smiles
O=C(C(=O)/C=C(/c1cccc(c1)O)\O)O
Calculated Properties
JChem
Acid pKa
2.6720731
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-1.3835089
LogD (pH = 7.4)
-2.2650857
Log P
1.3681937
Molar Refractivity
52.2791
Polarizability
19.42126
Polar Surface Area
94.83
Rotatable Bonds
3
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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