Molecule

ID:82010

General Information
Structure
Molecular Formula
C₁₄H₁₀O₆
Molecular Mass
274.2256
Exact Mass
274.04773804
Charge
0
InChI
InChI=1S/C14H10O6/c15-7-1-3-9(11(17)5-7)13(19)14(20)10-4-2-8(16)6-12(10)18/h1-6,15-18H
InChIKey
NGWYJYHAFLMHNW-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(c(c1)O)C(=O)C(=O)c1ccc(cc1O)O
Isomeric Smiles
O=C(c1ccc(cc1O)O)C(=O)c1c(cc(cc1)O)O
Calculated Properties
JChem
Acid pKa
7.1161957
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
3.3200922
LogD (pH = 7.4)
2.733338
Log P
3.3304653
Molar Refractivity
69.9964
Polarizability
26.20655
Polar Surface Area
115.06
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
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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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