Molecule

ID:91921

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈ClNO₃S
Molecular Mass
303.80492
Exact Mass
303.06959212
Charge
0
InChI
InChI=1S/C13H18ClNO3S/c1-3-9-15(10-4-2)19(17,18)12-7-5-11(6-8-12)13(14)16/h5-8H,3-4,9-10H2,1-2H3
InChIKey
LCQXGFTXKWEWQC-UHFFFAOYSA-N
Canonic Smiles
CCCN(S(=O)(=O)c1ccc(cc1)C(=O)Cl)CCC
Isomeric Smiles
ClC(=O)c1ccc(cc1)S(=O)(=O)N(CCC)CCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.976202
LogD (pH = 7.4)
2.976202
Log P
2.976202
Molar Refractivity
77.6692
Polarizability
30.44111
Polar Surface Area
54.45
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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