Molecule

ID:31446

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂O₄
Molecular Mass
208.21058
Exact Mass
208.07355886
Charge
0
InChI
InChI=1S/C11H12O4/c1-2-3-13-9-5-11-10(14-7-15-11)4-8(9)6-12/h4-6H,2-3,7H2,1H3
InChIKey
CCOPRBGCENZIDF-UHFFFAOYSA-N
Canonic Smiles
CCCOc1cc2OCOc2cc1C=O
Isomeric Smiles
c1(c(cc2c(c1)OCO2)OCCC)C=O
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.0306406
LogD (pH = 7.4)
2.0306406
Log P
2.0306406
Molar Refractivity
54.1447
Polarizability
20.922173
Polar Surface Area
44.76
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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