Molecule

ID:72121

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅ClN₂S
Molecular Mass
220.6781
Exact Mass
219.98619685
Charge
0
InChI
InChI=1S/C10H5ClN2S/c11-10-8(6-12)9(14-13-10)7-4-2-1-3-5-7/h1-5H
InChIKey
YLULGDCWLXHHOY-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(Cl)nsc1c1ccccc1
Isomeric Smiles
c1(c(snc1Cl)c1ccccc1)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2671082
LogD (pH = 7.4)
3.2671087
Log P
3.2671087
Molar Refractivity
58.507
Polarizability
22.866869
Polar Surface Area
36.68
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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