Molecule

ID:35213

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈O₄
Molecular Mass
204.17882
Exact Mass
204.04225874
Charge
0
InChI
InChI=1S/C11H8O4/c1-6-4-10(14)15-11-7(6)2-3-9(13)8(11)5-12/h2-5,13H,1H3
InChIKey
RTHHSXOVIJWFQP-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(O)ccc2c1oc(=O)cc2C
Isomeric Smiles
c12c(c(ccc1c(cc(=O)o2)C)O)C=O
Calculated Properties
JChem
Acid pKa
6.8278317
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.1218965
LogD (pH = 7.4)
1.4786124
Log P
2.1416912
Molar Refractivity
54.3955
Polarizability
20.077393
Polar Surface Area
63.6
Rotatable Bonds
1
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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