Molecule

ID:120559

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₄
Molecular Mass
194.184
Exact Mass
194.0579088
Charge
0
InChI
InChI=1S/C10H10O4/c1-7(10(12)13)14-9-4-2-3-8(5-9)6-11/h2-7H,1H3,(H,12,13)
InChIKey
RQNVJMDOWVHJHD-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)OC(C(=O)O)C
Isomeric Smiles
C(=O)(C(Oc1cc(C=O)ccc1)C)O
Calculated Properties
JChem
Acid pKa
3.290084
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.6174369
LogD (pH = 7.4)
-1.8533577
Log P
1.5748245
Molar Refractivity
49.6837
Polarizability
18.984684
Polar Surface Area
63.6
Rotatable Bonds
4
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
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Molecule Details
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References
Bioactivity
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