Molecule

ID:59808

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₃
Molecular Mass
190.1953
Exact Mass
190.06299418
Charge
0
InChI
InChI=1S/C11H10O3/c1-2-7-5-11(13)14-10-6-8(12)3-4-9(7)10/h3-6,12H,2H2,1H3
InChIKey
UNRDBISCGQHNDA-UHFFFAOYSA-N
Canonic Smiles
CCc1cc(=O)oc2c1ccc(c2)O
Isomeric Smiles
c12oc(=O)cc(c1ccc(c2)O)CC
Calculated Properties
JChem
Acid pKa
7.7908635
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2215543
LogD (pH = 7.4)
2.0767062
Log P
2.2237575
Molar Refractivity
52.4125
Polarizability
19.986649
Polar Surface Area
46.53
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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