Molecule

ID:120228

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₃
Molecular Mass
180.20048
Exact Mass
180.07864424
Charge
0
InChI
InChI=1S/C10H12O3/c1-8(11)13-7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3
InChIKey
HFNGYHHRRMSKEU-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)COC(=O)C
Isomeric Smiles
C(=O)(OCc1ccc(cc1)OC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4893502
LogD (pH = 7.4)
1.4893502
Log P
1.4893502
Molar Refractivity
48.4886
Polarizability
19.133236
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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