Molecule

ID:55780

General Information
Structure
MolImage
Molecular Formula
C₃H₅ClN₂OS
Molecular Mass
152.6026
Exact Mass
151.98111147
Charge
0
InChI
InChI=1S/C3H4N2OS.ClH/c1-6-3-5-4-2-7-3;/h2H,1H3;1H
InChIKey
ZDNZKYPMSKEFNM-UHFFFAOYSA-N
Canonic Smiles
COc1nncs1.Cl
Isomeric Smiles
c1(scnn1)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.27487034
LogD (pH = 7.4)
0.27487063
Log P
0.27487063
Molar Refractivity
27.3257
Polarizability
9.909906
Polar Surface Area
35.01
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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