Molecule

ID:59762

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₃
Molecular Mass
190.1953
Exact Mass
190.06299418
Charge
0
InChI
InChI=1S/C11H10O3/c1-6-7(2)11(13)14-10-5-8(12)3-4-9(6)10/h3-5,12H,1-2H3
InChIKey
QEEXKPYVMOIPKR-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)oc(=O)c(c2C)C
Isomeric Smiles
c1(=O)c(c(c2c(o1)cc(cc2)O)C)C
Calculated Properties
JChem
Acid pKa
7.780226
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1724818
LogD (pH = 7.4)
2.024616
Log P
2.1747394
Molar Refractivity
52.1686
Polarizability
19.986528
Polar Surface Area
46.53
Rotatable Bonds
0
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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