Molecule

ID:43561

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁NO₃S
Molecular Mass
201.24284
Exact Mass
201.04596422
Charge
0
InChI
InChI=1S/C8H11NO3S/c1-9-13(10,11)8-5-3-7(12-2)4-6-8/h3-6,9H,1-2H3
InChIKey
UIVZZDAOKBAWCS-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)S(=O)(=O)NC
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)OC)NC
Calculated Properties
JChem
Acid pKa
10.463922
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.6452772
LogD (pH = 7.4)
0.64494944
Log P
0.6452814
Molar Refractivity
49.5758
Polarizability
19.997654
Polar Surface Area
55.4
Rotatable Bonds
2
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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