Molecule

ID:106949

General Information
Structure
Molecular Formula
C₁₄H₁₈MnO₈
Molecular Mass
369.225969
Exact Mass
369.03821264
Charge
0
InChI
InChI=1S/2C7H6O2.Mn.4H2O/c2*8-7(9)6-4-2-1-3-5-6;;;;;/h2*1-5H,(H,8,9);;4*1H2/q;;+2;;;;/p-2
InChIKey
YIHQSMBNBPAEJC-UHFFFAOYSA-L
Canonic Smiles
[O-]C(=O)c1ccccc1.[O-]C(=O)c1ccccc1.O.O.O.O.[Mn+2]
Isomeric Smiles
O.O.O.O.[Mn+2].[O-]C(=O)c1ccccc1.[O-]C(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.0752335
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.19342963
LogD (pH = 7.4)
-1.4835135
Log P
1.6308287
Molar Refractivity
44.1513
Polarizability
12.569108
Polar Surface Area
40.13
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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