Molecule

ID:93023

General Information
Structure
Molecular Formula
C₇H₈S
Molecular Mass
124.20342
Exact Mass
124.03467126
Charge
0
InChI
InChI=1S/C7H8S/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
InChIKey
LXUNZSDDXMPKLP-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1S
Isomeric Smiles
Sc1c(cccc1)C
Calculated Properties
JChem
Acid pKa
6.783132
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
2.5586631
LogD (pH = 7.4)
1.9316396
Log P
2.5798743
Molar Refractivity
39.109
Polarizability
15.171311
Polar Surface Area
0.0
Rotatable Bonds
0
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