Molecule

ID:65452

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂O₂
Molecular Mass
152.19038
Exact Mass
152.08372962
Charge
0
InChI
InChI=1S/C9H12O2/c1-7-8(6-10)4-3-5-9(7)11-2/h3-5,10H,6H2,1-2H3
InChIKey
CRKISCPFEDTNCG-UHFFFAOYSA-N
Canonic Smiles
OCc1cccc(c1C)OC
Isomeric Smiles
c1cc(c(c(c1)CO)C)OC
Calculated Properties
JChem
Acid pKa
14.967167
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5616462
LogD (pH = 7.4)
1.5616461
Log P
1.5616462
Molar Refractivity
44.3783
Polarizability
17.063862
Polar Surface Area
29.46
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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