Molecule

ID:4998

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀FNO₂S
Molecular Mass
203.2339032
Exact Mass
203.04162779
Charge
0
InChI
InChI=1S/C8H10FNO2S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
InChIKey
MGSKVZWGBWPBTF-UHFFFAOYSA-N
Canonic Smiles
NCCc1ccc(cc1)S(=O)(=O)F
Isomeric Smiles
c1cc(S(=O)(=O)F)ccc1CCN
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
ALOGPS 2.1
Log P
1.42
LOG S
-2.72
Solubility (Water)
3.85e-01 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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