Molecule

ID:136372

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₄
Molecular Mass
206.1947
Exact Mass
206.0579088
Charge
0
InChI
InChI=1S/C11H10O4/c12-7-2-1-3-9-10(7)8(13)4-11(15-9)5-14-6-11/h1-3,12H,4-6H2
InChIKey
VOADICCVHMYXEY-UHFFFAOYSA-N
Canonic Smiles
O=C1CC2(COC2)Oc2c1c(O)ccc2
Isomeric Smiles
c1cc(c2c(c1)OC1(CC2=O)COC1)O
Calculated Properties
JChem
Acid pKa
9.936406
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.4230181
LogD (pH = 7.4)
1.4217815
Log P
1.4230338
Molar Refractivity
51.6795
Polarizability
20.158068
Polar Surface Area
55.76
Rotatable Bonds
0
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
No Data Available
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Molecule Details
References
Bioactivity
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