Molecule
ID:63935
General Information
Molecular Formula
C₉H₁₀O₂
Molecular Mass
150.1745
Exact Mass
150.06807956
Charge
0
InChI
InChI=1S/C9H10O2/c10-9(6-11-7-9)8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKey
BHAIDFCOUGGIRI-UHFFFAOYSA-N
Canonic Smiles
OC1(COC1)c1ccccc1
Isomeric Smiles
c1(C2(O)COC2)ccccc1
Calculated Properties
JChem
Acid pKa
12.759754
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.97093135
LogD (pH = 7.4)
0.9709295
Log P
0.97093135
Molar Refractivity
41.5082
Polarizability
16.426617
Polar Surface Area
29.46
Rotatable Bonds
1
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
No Data Available
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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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