Molecule
ID:75064
General Information
Molecular Formula
C₁₀H₁₂O₅
Molecular Mass
212.19928
Exact Mass
212.06847348
Charge
0
InChI
InChI=1S/C10H12O5/c1-10(2)14-8(11)7(9(12)15-10)6-4-3-5-13-6/h3-5H2,1-2H3
InChIKey
JSUMRUSDCOEXFQ-UHFFFAOYSA-N
Canonic Smiles
O=C1OC(C)(C)OC(=O)C1=C1CCCO1
Isomeric Smiles
O1CCCC1=C1C(=O)OC(OC1=O)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.93856055
LogD (pH = 7.4)
0.93856055
Log P
0.93856055
Molar Refractivity
50.9489
Polarizability
19.800505
Polar Surface Area
61.83
Rotatable Bonds
0
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
No Data Available
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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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