Molecule

ID:79525

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₄
Molecular Mass
194.184
Exact Mass
194.0579088
Charge
0
InChI
InChI=1S/C10H10O4/c1-6(11)9-4-3-8(5-10(9)13)14-7(2)12/h3-5,13H,1-2H3
InChIKey
XBBMROOTCQXGMR-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Oc1ccc(c(c1)O)C(=O)C
Isomeric Smiles
O(c1ccc(c(c1)O)C(=O)C)C(=O)C
Calculated Properties
JChem
Acid pKa
9.608602
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4845555
LogD (pH = 7.4)
1.4819319
Log P
1.484589
Molar Refractivity
49.5741
Polarizability
19.13864
Polar Surface Area
63.6
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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