Molecule

ID:119490

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₄
Molecular Mass
206.1947
Exact Mass
206.0579088
Charge
0
InChI
InChI=1S/C11H10O4/c12-10(13)5-7-6-11(14)15-9-4-2-1-3-8(7)9/h1-4,7H,5-6H2,(H,12,13)
InChIKey
ZDPBLVCNDJAERM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1CC(=O)Oc2c1cccc2
Isomeric Smiles
O1C(=O)CC(c2c1cccc2)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.865483
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.34146547
LogD (pH = 7.4)
-1.9335663
Log P
1.2975155
Molar Refractivity
51.2703
Polarizability
20.113056
Polar Surface Area
63.6
Rotatable Bonds
2
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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