Molecule

ID:125489

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₅
Molecular Mass
210.1834
Exact Mass
210.05282342
Charge
0
InChI
InChI=1S/C10H10O5/c1-15-8-5-6(2-3-9(12)13)4-7(11)10(8)14/h2-5,11,14H,1H3,(H,12,13)
InChIKey
YFXWTVLDSKSYLW-UHFFFAOYSA-N
Canonic Smiles
COc1cc(/C=C/C(=O)O)cc(c1O)O
Isomeric Smiles
COc1cc(cc(c1O)O)/C=C/C(=O)O
Calculated Properties
JChem
Acid pKa
3.6917255
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-0.43556115
LogD (pH = 7.4)
-1.9411094
Log P
1.3712844
Molar Refractivity
53.4849
Polarizability
20.006016
Polar Surface Area
86.99
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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