Molecule

ID:104283

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄MnO₄
Molecular Mass
253.153809
Exact Mass
253.02725403
Charge
0
InChI
InChI=1S/2C5H8O2.Mn/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2
InChIKey
ZQZQURFYFJBOCE-UHFFFAOYSA-L
Canonic Smiles
C/C(=C\C(=O)C)/O[Mn]O/C(=C/C(=O)C)/C
Isomeric Smiles
CC(=O)/C=C(\C)/O[Mn]O/C(=C/C(=O)C)/C
Calculated Properties
JChem
Acid pKa
19.13614
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.2546
LogD (pH = 7.4)
0.2546
Log P
0.2546
Molar Refractivity
54.8498
Polarizability
23.255634
Polar Surface Area
52.6
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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