Molecule

ID:8881

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁ClFNO₂S
Molecular Mass
239.6948432
Exact Mass
239.0183055
Charge
0
InChI
InChI=1S/C8H10FNO2S.ClH/c9-13(11,12)8-3-1-7(2-4-8)5-6-10;/h1-4H,5-6,10H2;1H
InChIKey
WRDABNWSWOHGMS-UHFFFAOYSA-N
Canonic Smiles
NCCc1ccc(cc1)S(=O)(=O)F.Cl
Isomeric Smiles
c1cc(ccc1S(=O)(=O)F)CCN.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.9151559
LogD (pH = 7.4)
-0.80925053
Log P
1.0463892
Molar Refractivity
48.8456
Polarizability
19.36221
Polar Surface Area
60.16
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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