Molecule

ID:115380

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅ClN₂O₂S
Molecular Mass
310.7991
Exact Mass
310.05427641
Charge
0
InChI
InChI=1S/C14H15ClN2O2S/c1-2-17(11-6-4-3-5-7-11)20(18,19)12-8-9-13(15)14(16)10-12/h3-10H,2,16H2,1H3
InChIKey
ADXNDRWIQBHXKF-UHFFFAOYSA-N
Canonic Smiles
CCN(S(=O)(=O)c1ccc(c(c1)N)Cl)c1ccccc1
Isomeric Smiles
S(=O)(=O)(N(c1ccccc1)CC)c1cc(c(cc1)Cl)N
Calculated Properties
JChem
Acid pKa
19.056902
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.8164964
LogD (pH = 7.4)
2.8165135
Log P
2.8165138
Molar Refractivity
82.0407
Polarizability
31.900307
Polar Surface Area
63.4
Rotatable Bonds
3
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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