Molecule

ID:59641

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄O₃
Molecular Mass
230.25916
Exact Mass
230.09429431
Charge
0
InChI
InChI=1S/C14H14O3/c1-8-6-11(15)13-9-4-2-3-5-10(9)14(16)17-12(13)7-8/h6-7,15H,2-5H2,1H3
InChIKey
KAIMSUNJCRGFPE-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(O)c2c(c1)oc(=O)c1c2CCCC1
Isomeric Smiles
c12c3c(oc(=O)c1CCCC2)cc(cc3O)C
Calculated Properties
JChem
Acid pKa
7.6588187
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.1105893
LogD (pH = 7.4)
2.9244864
Log P
3.1135721
Molar Refractivity
64.6096
Polarizability
24.704565
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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