Molecule

ID:41770

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆O₃
Molecular Mass
256.29644
Exact Mass
256.10994437
Charge
0
InChI
InChI=1S/C16H16O3/c1-11-3-5-13(6-4-11)10-19-14-7-8-15(12(2)17)16(18)9-14/h3-9,18H,10H2,1-2H3
InChIKey
GVILIEKXUQXZHV-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)COc1ccc(c(c1)O)C(=O)C
Isomeric Smiles
c1(c(cc(OCc2ccc(cc2)C)cc1)O)C(=O)C
Calculated Properties
JChem
Acid pKa
10.0427065
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.9575388
LogD (pH = 7.4)
3.9565713
Log P
3.9575512
Molar Refractivity
74.5587
Polarizability
28.53932
Polar Surface Area
46.53
Rotatable Bonds
4
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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