Molecule

ID:119823

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂O₄
Molecular Mass
268.26408
Exact Mass
268.07355886
Charge
0
InChI
InChI=1S/C16H12O4/c1-19-13-6-3-10(4-7-13)14-8-11-2-5-12(17)9-15(11)20-16(14)18/h2-9,17H,1H3
InChIKey
VGYCHSOZFBOOKO-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1cc2ccc(cc2oc1=O)O
Isomeric Smiles
c1(=O)c(cc2c(o1)cc(cc2)O)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
7.775976
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.987931
LogD (pH = 7.4)
2.838845
Log P
2.9902108
Molar Refractivity
74.4448
Polarizability
28.475805
Polar Surface Area
55.76
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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