Molecule

ID:83094

General Information
Structure
Molecular Formula
C₁₀H₁₀O₄
Molecular Mass
194.184
Exact Mass
194.0579088
Charge
0
InChI
InChI=1S/C10H10O4/c11-10(12)7-1-3-8(4-2-7)13-5-9-6-14-9/h1-4,9H,5-6H2,(H,11,12)
InChIKey
LQRUKKGYJWLGBA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(cc1)OCC1OC1
Isomeric Smiles
O(c1ccc(cc1)C(=O)O)CC1OC1
Calculated Properties
JChem
Acid pKa
4.3587093
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.1446191
LogD (pH = 7.4)
-1.6050602
Log P
1.314424
Molar Refractivity
48.5221
Polarizability
18.873058
Polar Surface Area
59.06
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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