Molecule

ID:128822

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀O₂
Molecular Mass
150.1745
Exact Mass
150.06807956
Charge
0
InChI
InChI=1S/C9H10O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-6,10-11H,7H2
InChIKey
PTNLHDGQWUGONS-UHFFFAOYSA-N
Canonic Smiles
OCC=Cc1ccc(cc1)O
Isomeric Smiles
OC/C=C/c1ccc(O)cc1
Calculated Properties
JChem
LogD (pH = 7.4)
1.51
LogD (pH = 5.5)
1.51
Log P
1.51
Rotatable Bonds
2
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
9.51
Polar Surface Area
40.46
Polarizability
16.35
Molar Refractivity
45.17
LOG S
-1.32
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