Molecule

ID:16038

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₄
Molecular Mass
196.19988
Exact Mass
196.07355886
Charge
0
InChI
InChI=1S/C10H12O4/c1-11-7-5-9-10(6-8(7)12-2)14-4-3-13-9/h5-6H,3-4H2,1-2H3
InChIKey
SEAJVGAVXIEQBV-UHFFFAOYSA-N
Canonic Smiles
COc1cc2OCCOc2cc1OC
Isomeric Smiles
O1CCOc2c1cc(c(c2)OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.1710358
LogD (pH = 7.4)
1.1710358
Log P
1.1710358
Molar Refractivity
49.9418
Polarizability
19.707714
Polar Surface Area
36.92
Rotatable Bonds
2
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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