Molecule

ID:59685

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄O₅
Molecular Mass
262.25796
Exact Mass
262.08412355
Charge
0
InChI
InChI=1S/C14H14O5/c1-8-11(17-2)5-4-10-9(6-12(15)18-3)7-13(16)19-14(8)10/h4-5,7H,6H2,1-3H3
InChIKey
PJELXXMKNMVWQJ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1cc(=O)oc2c1ccc(c2C)OC
Isomeric Smiles
c12c(c(cc(=O)o1)CC(=O)OC)ccc(c2C)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7087253
LogD (pH = 7.4)
1.7087253
Log P
1.7087253
Molar Refractivity
68.3705
Polarizability
26.312092
Polar Surface Area
61.83
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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