Molecule

ID:17547

General Information
Structure
Molecular Formula
C₁₁H₁₀O₃
Molecular Mass
190.1953
Exact Mass
190.06299418
Charge
0
InChI
InChI=1S/C11H10O3/c1-6-4-3-5-8-7(2)10(11(12)13)14-9(6)8/h3-5H,1-2H3,(H,12,13)
InChIKey
KUEJSYJMMRPGTH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1oc2c(c1C)cccc2C
Isomeric Smiles
c12c(c(c(o1)C(=O)O)C)cccc2C
Calculated Properties
JChem
Acid pKa
2.959585
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.23753062
LogD (pH = 7.4)
-0.7424009
Log P
2.7367961
Molar Refractivity
52.1152
Polarizability
20.56662
Polar Surface Area
50.44
Rotatable Bonds
1
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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