Molecule
ID:91628
General Information
Molecular Formula
C₁₃H₁₂O₃
Molecular Mass
216.23258
Exact Mass
216.07864424
Charge
0
InChI
InChI=1S/C13H12O3/c1-3-10(12-5-2-6-14-12)9-11(4-1)13-15-7-8-16-13/h1-6,9,13H,7-8H2
InChIKey
XVAXJWNKXXTMFS-UHFFFAOYSA-N
Canonic Smiles
C1COC(O1)c1cccc(c1)c1ccco1
Isomeric Smiles
o1c(ccc1)c1cc(ccc1)C1OCCO1
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
24.315767
Polar Surface Area
31.6
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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