Molecule

ID:59805

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄O₃
Molecular Mass
266.29126
Exact Mass
266.09429431
Charge
0
InChI
InChI=1S/C17H14O3/c1-11-14-8-7-13(18)10-16(14)20-17(19)15(11)9-12-5-3-2-4-6-12/h2-8,10,18H,9H2,1H3
InChIKey
IDFOCEQDKOOOER-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)oc(=O)c(c2C)Cc1ccccc1
Isomeric Smiles
c1(c(=O)oc2c(c1C)ccc(c2)O)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
7.771334
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.7508078
LogD (pH = 7.4)
3.6003797
Log P
3.753112
Molar Refractivity
76.8646
Polarizability
29.578388
Polar Surface Area
46.53
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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