Molecule

ID:8780

General Information
Structure
Molecular Formula
C₁₀H₁₂O₃
Molecular Mass
180.20048
Exact Mass
180.07864424
Charge
0
InChI
InChI=1S/C10H12O3/c1-2-12-10(11)8-13-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKey
MGZFVSUXQXCEHM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)COc1ccccc1
Isomeric Smiles
O(CC(=O)OCC)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7962599
LogD (pH = 7.4)
1.7962599
Log P
1.7962599
Molar Refractivity
48.1235
Polarizability
19.139236
Polar Surface Area
35.53
Rotatable Bonds
5
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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