Molecule

ID:7803

General Information
Structure
MolImage
Molecular Formula
C₇H₈OS
Molecular Mass
140.20282
Exact Mass
140.02958588
Charge
0
InChI
InChI=1S/C7H8OS/c1-8-6-3-2-4-7(9)5-6/h2-5,9H,1H3
InChIKey
QMVAZEHZOPDGHA-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)S
Isomeric Smiles
c1cc(cc(c1)S)OC
Calculated Properties
JChem
Acid pKa
6.1598926
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8263856
LogD (pH = 7.4)
0.8622417
Log P
1.9087818
Molar Refractivity
40.531
Polarizability
15.889852
Polar Surface Area
9.23
Rotatable Bonds
1
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