Molecule

ID:7247

General Information
Structure
MolImage
Molecular Formula
C₅H₃ClO₂S
Molecular Mass
162.59412
Exact Mass
161.95422802
Charge
0
InChI
InChI=1S/C5H3ClO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)
InChIKey
QZLSBOVWPHXCLT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(s1)Cl
Isomeric Smiles
c1(sc(cc1)Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
3.3326368
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.16191117
LogD (pH = 7.4)
-1.1052303
Log P
2.3137507
Molar Refractivity
34.1688
Polarizability
13.449741
Polar Surface Area
37.3
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