Molecule

ID:8423

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₄
Molecular Mass
196.19988
Exact Mass
196.07355886
Charge
0
InChI
InChI=1S/C10H12O4/c1-13-8-5-3-4-7(6-9(11)12)10(8)14-2/h3-5H,6H2,1-2H3,(H,11,12)
InChIKey
UZULEJNWMHZSGY-UHFFFAOYSA-N
Canonic Smiles
COc1c(cccc1OC)CC(=O)O
Isomeric Smiles
c1ccc(c(c1OC)OC)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.8627212
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.34599397
LogD (pH = 7.4)
-1.9368001
Log P
1.2956516
Molar Refractivity
50.292
Polarizability
19.596237
Polar Surface Area
55.76
Rotatable Bonds
4
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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