Molecule

ID:101098

General Information
Structure
MolImage
Molecular Formula
C₉H₉ClN₂S
Molecular Mass
212.69916
Exact Mass
212.01749698
Charge
0
InChI
InChI=1S/C9H8N2S.ClH/c10-9(11)7-5-12-8-4-2-1-3-6(7)8;/h1-5H,(H3,10,11);1H
InChIKey
QWISXMSXASGOAP-UHFFFAOYSA-N
Canonic Smiles
NC(=N)c1csc2c1cccc2.Cl
Isomeric Smiles
c1(csc2c1cccc2)C(=N)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.6431525
LogD (pH = 7.4)
-0.47837278
Log P
1.769739
Molar Refractivity
61.0706
Polarizability
20.202686
Polar Surface Area
49.87
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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