Molecule

ID:85836

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₄
Molecular Mass
194.184
Exact Mass
194.0579088
Charge
0
InChI
InChI=1S/C10H10O4/c1-6-4-3-5-8(10(12)13)9(6)14-7(2)11/h3-5H,1-2H3,(H,12,13)
InChIKey
XRBMKGUDDJPAMH-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Oc1c(C)cccc1C(=O)O
Isomeric Smiles
O(c1c(cccc1C)C(=O)O)C(=O)C
Calculated Properties
JChem
Acid pKa
3.422002
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.31500885
LogD (pH = 7.4)
-1.6457374
Log P
1.7515111
Molar Refractivity
49.4878
Polarizability
18.901854
Polar Surface Area
63.6
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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