Molecule

ID:83773

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClO₅
Molecular Mass
248.66022
Exact Mass
248.0451512
Charge
0
InChI
InChI=1S/C10H13ClO5/c1-10(2)15-7-6-5(13-9(7)16-10)3-4(11)8(12)14-6/h4-7,9H,3H2,1-2H3/t4?,5-,6-,7+,9+/m1/s1
InChIKey
GGTZKAFRUBDNSK-OCKMSHTRSA-N
Canonic Smiles
ClC1C[C@H]2O[C@@H]3[C@H]([C@@H]2OC1=O)OC(O3)(C)C
Isomeric Smiles
O1[C@H]2[C@H]3[C@H](OC(O3)(C)C)O[C@@H]2CC(C1=O)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.1691827
LogD (pH = 7.4)
1.1691827
Log P
1.1691827
Molar Refractivity
52.422
Polarizability
21.877495
Polar Surface Area
53.99
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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