Molecule

ID:119751

General Information
Structure
Molecular Formula
C₁₄H₁₄O₅
Molecular Mass
262.25796
Exact Mass
262.08412355
Charge
0
InChI
InChI=1S/C14H14O5/c1-8-10-5-4-9(17-2)6-12(10)19-14(16)11(8)7-13(15)18-3/h4-6H,7H2,1-3H3
InChIKey
ZUUIBZZZBRDMBC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1c(=O)oc2c(c1C)ccc(c2)OC
Isomeric Smiles
c1(c(=O)oc2c(c1C)ccc(c2)OC)CC(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5908544
LogD (pH = 7.4)
1.5908544
Log P
1.5908544
Molar Refractivity
67.6864
Polarizability
26.384485
Polar Surface Area
61.83
Rotatable Bonds
4
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
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Molecule Details
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References
Bioactivity
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