Molecule

ID:105610

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)8-4-2-1-3-7(8)5-6-10;/h1-4H,5-6,10H2;1H
InChIKey
PZVMOEXKXXQZEE-UHFFFAOYSA-N
Canonic Smiles
NCCc1ccccc1S(=O)(=O)F.Cl
Isomeric Smiles
Cl.NCCc1ccccc1S(=O)(=O)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.895981
LogD (pH = 7.4)
-0.7045076
Log P
1.0463892
Molar Refractivity
48.8456
Polarizability
19.36379
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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