Molecule

ID:86885

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀O₂
Molecular Mass
138.1638
Exact Mass
138.06807956
Charge
0
InChI
InChI=1S/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8-10H,6H2/t8-/m1/s1
InChIKey
PWMWNFMRSKOCEY-MRVPVSSYSA-N
Canonic Smiles
OC[C@H](c1ccccc1)O
Isomeric Smiles
OC[C@H](c1ccccc1)O
Calculated Properties
JChem
Acid pKa
13.6545925
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.5755611
LogD (pH = 7.4)
0.57556087
Log P
0.5755611
Molar Refractivity
38.8364
Polarizability
15.2415085
Polar Surface Area
40.46
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation