Molecule

ID:90272

General Information
Structure
MolImage
Molecular Formula
C₅H₇ClN₂S
Molecular Mass
162.64048
Exact Mass
162.00184691
Charge
0
InChI
InChI=1S/C5H6N2S.ClH/c1-4-2-3-6-5(8)7-4;/h2-3H,1H3,(H,6,7,8);1H
InChIKey
UQJLPBLXSJWAKG-UHFFFAOYSA-N
Canonic Smiles
Cc1ccnc(n1)S.Cl
Isomeric Smiles
n1c(nc(cc1)C)S.Cl
Calculated Properties
JChem
Acid pKa
9.1307745
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9529687
LogD (pH = 7.4)
0.94540244
Log P
0.95309883
Molar Refractivity
35.2696
Polarizability
13.374219
Polar Surface Area
25.78
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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