Molecule

ID:7902

General Information
Structure
Molecular Formula
C₉H₁₀O₃
Molecular Mass
166.1739
Exact Mass
166.06299418
Charge
0
InChI
InChI=1S/C9H10O3/c1-11-9(10)7-12-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey
BZCKRPHEZOHHBK-UHFFFAOYSA-N
Canonic Smiles
COC(=O)COc1ccccc1
Isomeric Smiles
c1cccc(c1)OCC(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4394519
LogD (pH = 7.4)
1.4394519
Log P
1.4394519
Molar Refractivity
43.3749
Polarizability
17.30228
Polar Surface Area
35.53
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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