Molecule

ID:83549

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀ClNO₂S
Molecular Mass
337.8642
Exact Mass
337.09032757
Charge
0
InChI
InChI=1S/C17H19NO2S.ClH/c18-16(12-11-15-7-3-1-4-8-15)13-14-21(19,20)17-9-5-2-6-10-17;/h1-10,13-14,16H,11-12,18H2;1H/t16-;/m0./s1
InChIKey
SRGXYAGPHWUYGO-NTISSMGPSA-N
Canonic Smiles
N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1.Cl
Isomeric Smiles
S(=O)(=O)(c1ccccc1)/C=C/[C@@H](N)CCc1ccccc1.Cl
Calculated Properties
JChem
Acid pKa
19.338217
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.18726741
LogD (pH = 7.4)
1.5706213
Log P
3.0623543
Molar Refractivity
86.3427
Polarizability
34.488716
Polar Surface Area
60.16
Rotatable Bonds
6
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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