Molecule

ID:62888

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅ClN₂O₂S
Molecular Mass
262.7563
Exact Mass
262.05427641
Charge
0
InChI
InChI=1S/C10H14N2O2S.ClH/c1-12-15(13,14)10-3-2-7-4-9(11)5-8(7)6-10;/h2-3,6,9,12H,4-5,11H2,1H3;1H
InChIKey
WOTJAHYCTIOBTQ-UHFFFAOYSA-N
Canonic Smiles
CNS(=O)(=O)c1ccc2c(c1)CC(C2)N.Cl
Isomeric Smiles
S(=O)(=O)(c1cc2c(CC(C2)N)cc1)NC.Cl
Calculated Properties
JChem
Acid pKa
10.509776
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.6941643
LogD (pH = 7.4)
-2.009241
Log P
-0.03852834
Molar Refractivity
59.3208
Polarizability
23.616854
Polar Surface Area
72.19
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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