Molecule

ID:38133

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO₃S
Molecular Mass
305.8208
Exact Mass
305.08524219
Charge
0
InChI
InChI=1S/C13H19NO3S.ClH/c1-17-12-4-2-3-5-13(12)18(15,16)10-11-6-8-14-9-7-11;/h2-5,11,14H,6-10H2,1H3;1H
InChIKey
YEZJJNQZMUISTF-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1S(=O)(=O)CC1CCNCC1.Cl
Isomeric Smiles
C1NCCC(C1)CS(=O)(=O)c1ccccc1OC.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.313039
LogD (pH = 7.4)
-1.7189023
Log P
0.91243124
Molar Refractivity
71.4162
Polarizability
28.835976
Polar Surface Area
55.4
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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