Molecule

ID:79551

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀O₃
Molecular Mass
154.1632
Exact Mass
154.06299418
Charge
0
InChI
InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2
InChIKey
JUUBCHWRXWPFFH-UHFFFAOYSA-N
Canonic Smiles
OCCc1ccc(c(c1)O)O
Isomeric Smiles
OCCc1cc(c(cc1)O)O
Calculated Properties
JChem
LogD (pH = 7.4)
0.88
LogD (pH = 5.5)
0.89
Log P
0.89
Rotatable Bonds
2
H Donor
3
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
9.55
Polar Surface Area
60.69
Polarizability
15.77
Molar Refractivity
41.59
LOG S
-0.16
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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