Molecule

ID:12264

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClN₂O₂S
Molecular Mass
274.767
Exact Mass
274.05427641
Charge
0
InChI
InChI=1S/C11H15ClN2O2S/c1-17(15,16)11-8-9(12)2-3-10(11)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChIKey
RJEDJYJNERXVNE-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)S(=O)(=O)C)N1CCNCC1
Isomeric Smiles
N1(CCNCC1)c1c(cc(cc1)Cl)S(=O)(=O)C
Calculated Properties
JChem
Acid pKa
19.668337
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.8561095
LogD (pH = 7.4)
-0.20338005
Log P
0.98971456
Molar Refractivity
70.0504
Polarizability
27.506762
Polar Surface Area
49.41
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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