Molecule

ID:118271

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClNO₃S
Molecular Mass
275.75176
Exact Mass
275.03829199
Charge
0
InChI
InChI=1S/C11H14ClNO3S/c1-3-13(4-2)17(15,16)10-7-5-9(6-8-10)11(12)14/h5-8H,3-4H2,1-2H3
InChIKey
UEUFVAGYBMRFMD-UHFFFAOYSA-N
Canonic Smiles
CCN(S(=O)(=O)c1ccc(cc1)C(=O)Cl)CC
Isomeric Smiles
S(=O)(=O)(c1ccc(C(=O)Cl)cc1)N(CC)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9311572
LogD (pH = 7.4)
1.9311572
Log P
1.9311572
Molar Refractivity
68.6212
Polarizability
26.781944
Polar Surface Area
54.45
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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