Molecule

ID:31081

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₄
Molecular Mass
206.1947
Exact Mass
206.0579088
Charge
0
InChI
InChI=1S/C11H10O4/c12-9-6-8(11(13)14)10(15-9)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,13,14)
InChIKey
LRMTVZBRYDTDCU-UHFFFAOYSA-N
Canonic Smiles
O=C1CC(C(O1)c1ccccc1)C(=O)O
Isomeric Smiles
C1(C(OC(=O)C1)c1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
4.013927
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.18367182
LogD (pH = 7.4)
-1.8385838
Log P
1.3124435
Molar Refractivity
50.6768
Polarizability
20.13111
Polar Surface Area
63.6
Rotatable Bonds
2
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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