Molecule

ID:71429

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₄
Molecular Mass
194.184
Exact Mass
194.0579088
Charge
0
InChI
InChI=1S/C10H10O4/c1-13-10(12)7-14-9-4-2-3-8(5-9)6-11/h2-6H,7H2,1H3
InChIKey
AYMQCLGUHSIDFY-UHFFFAOYSA-N
Canonic Smiles
COC(=O)COc1cccc(c1)C=O
Isomeric Smiles
C(=O)(COc1cc(C=O)ccc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.1519543
LogD (pH = 7.4)
1.1519543
Log P
1.1519543
Molar Refractivity
49.9589
Polarizability
19.227203
Polar Surface Area
52.6
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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