Molecule

ID:134728

General Information
Structure
MolImage
Molecular Formula
C₁₇H₆O₇
Molecular Mass
323.21799484
Exact Mass
323.01470737
Charge
0
InChI
InChI=1S/C17H6O7/c18-13(7-1-3-9-11(5-7)16(21)23-14(9)19)8-2-4-10-12(6-8)17(22)24-15(10)20/h1-6H/i13+1
InChIKey
VQVIHDPBMFABCQ-KCKQSJSWSA-N
Canonic Smiles
O=[13C](c1ccc2c(c1)C(=O)OC2=O)c1ccc2c(c1)C(=O)OC2=O
Isomeric Smiles
c1cc2c(cc1[13C](=O)c1ccc3c(c1)C(=O)OC3=O)C(=O)OC2=O
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.3312745
LogD (pH = 7.4)
2.3312745
Log P
2.3312745
Molar Refractivity
79.2475
Polarizability
29.589369
Polar Surface Area
103.81
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
Molecule Details
References
Bioactivity
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