Molecule

ID:91629

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂O₃
Molecular Mass
216.23258
Exact Mass
216.07864424
Charge
0
InChI
InChI=1S/C13H12O3/c1-2-12(14-7-1)10-3-5-11(6-4-10)13-15-8-9-16-13/h1-7,13H,8-9H2
InChIKey
XSQWWBJOWVPDAI-UHFFFAOYSA-N
Canonic Smiles
C1COC(O1)c1ccc(cc1)c1ccco1
Isomeric Smiles
O1C(c2ccc(cc2)c2ccco2)OCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6638722
LogD (pH = 7.4)
2.6638722
Log P
2.6638722
Molar Refractivity
58.9643
Polarizability
24.315178
Polar Surface Area
31.6
Rotatable Bonds
2
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
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References
Bioactivity
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