Molecule

ID:78612

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅ClN₂S₂
Molecular Mass
252.7431
Exact Mass
251.95826785
Charge
0
InChI
InChI=1S/C10H5ClN2S2/c11-9-8-6(7-2-1-3-14-7)4-15-10(8)13-5-12-9/h1-5H
InChIKey
VNWBUFWVNCUUKY-UHFFFAOYSA-N
Canonic Smiles
Clc1ncnc2c1c(cs2)c1cccs1
Isomeric Smiles
s1cc(c2c1ncnc2Cl)c1cccs1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5418162
LogD (pH = 7.4)
3.5418177
Log P
3.5418177
Molar Refractivity
63.9072
Polarizability
25.622204
Polar Surface Area
25.78
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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