Molecule

ID:55305

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃ClN₂O₂S₂
Molecular Mass
268.78402
Exact Mass
268.01069735
Charge
0
InChI
InChI=1S/C8H12N2O2S2.ClH/c1-9-6-5-10(2)14(11,12)7-3-4-13-8(6)7;/h3-4,6,9H,5H2,1-2H3;1H
InChIKey
FPNJOQPIAGRGPJ-UHFFFAOYSA-N
Canonic Smiles
CNC1CN(C)S(=O)(=O)c2c1scc2.Cl
Isomeric Smiles
S1(=O)(=O)c2c(C(CN1C)NC)scc2.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4801354
LogD (pH = 7.4)
0.09569895
Log P
0.38610104
Molar Refractivity
55.8484
Polarizability
22.509129
Polar Surface Area
49.41
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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