Molecule

ID:43222

General Information
Structure
MolImage
Molecular Formula
C₅H₄ClNS
Molecular Mass
145.60996
Exact Mass
144.97529781
Charge
0
InChI
InChI=1S/C5H4ClNS/c6-4-1-2-5(8)7-3-4/h1-3H,(H,7,8)
InChIKey
FNXPASNYGUMVGZ-UHFFFAOYSA-N
Canonic Smiles
Sc1ccc(cn1)Cl
Isomeric Smiles
n1c(S)ccc(c1)Cl
Calculated Properties
JChem
Acid pKa
6.761317
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.0249562
LogD (pH = 7.4)
1.3843843
Log P
2.0472827
Molar Refractivity
37.0292
Polarizability
14.374347
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
References
Bioactivity
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