Molecule

ID:92712

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀O
Molecular Mass
122.1644
Exact Mass
122.07316494
Charge
0
InChI
InChI=1S/C8H10O/c1-7-5-3-4-6-8(7)9-2/h3-6H,1-2H3
InChIKey
DTFKRVXLBCAIOZ-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1C
Isomeric Smiles
O(c1c(cccc1)C)C
Calculated Properties
JChem
LogD (pH = 7.4)
2.33
LogD (pH = 5.5)
2.33
Log P
2.33
Rotatable Bonds
1
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-4.82
Polar Surface Area
9.23
Polarizability
13.78
Molar Refractivity
37.56
LOG S
-1.66
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