Molecule

ID:105163

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀N₂O₆
Molecular Mass
314.2497
Exact Mass
314.05388605
Charge
0
InChI
InChI=1S/C15H10N2O6/c1-23-15(22)6-2-3-8(19)13-11(6)16-14-10(21)4-9(20)7(5-18)12(14)17-13/h2-5,19-21H,1H3
InChIKey
CRANETCJDDEINO-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(c2c1nc1c(O)cc(c(c1n2)C=O)O)O
Isomeric Smiles
COC(=O)c1ccc(O)c2nc3c(C=O)c(O)cc(O)c3nc12
Calculated Properties
JChem
Acid pKa
5.6891556
H Acceptors
7
H Donor
3
LogD (pH = 5.5)
2.4632266
LogD (pH = 7.4)
1.4590349
Log P
2.5155392
Molar Refractivity
77.708595
Polarizability
31.74168
Polar Surface Area
129.84
Rotatable Bonds
3
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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