Molecule

ID:27077

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClN₂O₂S
Molecular Mass
260.74042
Exact Mass
260.03862635
Charge
0
InChI
InChI=1S/C10H13ClN2O2S/c1-3-6-5(2)16-10(8(6)9(12)15)13-7(14)4-11/h3-4H2,1-2H3,(H2,12,15)(H,13,14)
InChIKey
ZFRLIKGRVLJSQK-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1sc(c(c1C(=O)N)CC)C
Isomeric Smiles
c1(c(c(c(s1)C)CC)C(=O)N)NC(=O)CCl
Calculated Properties
JChem
Acid pKa
10.201316
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.7992208
LogD (pH = 7.4)
2.7985778
Log P
2.7992291
Molar Refractivity
65.7168
Polarizability
24.043957
Polar Surface Area
72.19
Rotatable Bonds
4
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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