Molecule

ID:43088

General Information
Structure
MolImage
Molecular Formula
C₅H₄ClNS
Molecular Mass
145.60996
Exact Mass
144.97529781
Charge
0
InChI
InChI=1S/C5H4ClNS/c6-4-2-1-3-7-5(4)8/h1-3H,(H,7,8)
InChIKey
YZJSKNMPZQWOMW-UHFFFAOYSA-N
Canonic Smiles
Clc1cccnc1S
Isomeric Smiles
c1(ncccc1Cl)S
Calculated Properties
JChem
Acid pKa
6.6767616
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.0202537
LogD (pH = 7.4)
1.3273194
Log P
2.0472827
Molar Refractivity
37.0292
Polarizability
14.389445
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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