Molecule

ID:90029

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₄
Molecular Mass
194.184
Exact Mass
194.0579088
Charge
0
InChI
InChI=1S/C10H10O4/c1-6-3-7(9(11)12)5-8(4-6)10(13)14-2/h3-5H,1-2H3,(H,11,12)
InChIKey
DJSIZJKPKTXMII-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(C)cc(c1)C(=O)O
Isomeric Smiles
O=C(c1cc(cc(c1)C)C(=O)OC)O
Calculated Properties
JChem
Acid pKa
3.8513238
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.4950838
LogD (pH = 7.4)
-1.0903314
Log P
2.147727
Molar Refractivity
50.3807
Polarizability
18.891436
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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