Molecule

ID:15857

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClN₂S
Molecular Mass
226.72574
Exact Mass
226.03314704
Charge
0
InChI
InChI=1S/C10H10N2S.ClH/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8;/h1-5,7H,6,11H2;1H
InChIKey
ZDQWBKSBVOECEI-UHFFFAOYSA-N
Canonic Smiles
NCc1cnc(s1)c1ccccc1.Cl
Isomeric Smiles
c1nc(sc1CN)c1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7411211
LogD (pH = 7.4)
0.8852373
Log P
1.9150167
Molar Refractivity
64.6255
Polarizability
21.755949
Polar Surface Area
38.91
Rotatable Bonds
2
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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