Molecule

ID:127666

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀O₇
Molecular Mass
302.2357
Exact Mass
302.04265266
Charge
0
InChI
InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)14-13(21)12(20)10-8(17)5-9(18)11(19)15(10)22-14/h1-5,16-19,21H
InChIKey
ZDOTZEDNGNPOEW-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)c1oc2c(O)c(O)cc(c2c(=O)c1O)O
Isomeric Smiles
c1cc(ccc1c1c(c(=O)c2c(o1)c(c(cc2O)O)O)O)O
Calculated Properties
JChem
Acid pKa
6.624445
H Acceptors
7
H Donor
5
LogD (pH = 5.5)
2.125078
LogD (pH = 7.4)
1.2958863
Log P
2.1562994
Molar Refractivity
76.8622
Polarizability
28.419607
Polar Surface Area
127.45
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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