Molecule

ID:59545

General Information
Structure
Molecular Formula
C₁₆H₁₂O₄
Molecular Mass
268.26408
Exact Mass
268.07355886
Charge
0
InChI
InChI=1S/C16H12O4/c1-19-13-6-7-15-11(8-13)9-14(16(18)20-15)10-2-4-12(17)5-3-10/h2-9,17H,1H3
InChIKey
RCBZYIPXROHTCE-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)cc(c(=O)o2)c1ccc(cc1)O
Isomeric Smiles
c1(c(=O)oc2c(c1)cc(cc2)OC)c1ccc(cc1)O
Calculated Properties
JChem
Acid pKa
8.942141
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.9900548
LogD (pH = 7.4)
2.9780018
Log P
2.9902108
Molar Refractivity
74.4448
Polarizability
28.47571
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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