Molecule

ID:107465

General Information
Structure
MolImage
Molecular Formula
C₅H₈Cl₃CrO₃
Molecular Mass
274.47032
Exact Mass
272.89440966
Charge
0
InChI
InChI=1S/C5H8O3.3ClH.Cr/c6-5(7)4-2-1-3-8-4;;;;/h4H,1-3H2,(H,6,7);3*1H;/q;;;;+3/p-3
InChIKey
WEZSRMRWOAPXGY-UHFFFAOYSA-K
Canonic Smiles
OC(=O)C1CCCO1.Cl[Cr](Cl)Cl
Isomeric Smiles
Cl[Cr](Cl)Cl.OC(=O)C1CCCO1
Calculated Properties
JChem
Acid pKa
3.8262095
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4565991
LogD (pH = 7.4)
-3.029863
Log P
0.2202865
Molar Refractivity
26.383398
Polarizability
10.524128
Polar Surface Area
46.53
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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