Molecule

ID:93599

General Information
Structure
MolImage
Molecular Formula
C₂F₄O₃S
Molecular Mass
180.0782128
Exact Mass
179.95042774
Charge
0
InChI
InChI=1S/C2F4O3S/c3-1(4)2(5,6)10(7,8)9-1
InChIKey
ZMSRCMWBEGLBAI-UHFFFAOYSA-N
Canonic Smiles
FC1(F)C(F)(F)OS1(=O)=O
Isomeric Smiles
O1C(F)(F)C(S1(=O)=O)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3254498
LogD (pH = 7.4)
1.3254498
Log P
1.3254498
Molar Refractivity
20.5992
Polarizability
8.923987
Polar Surface Area
43.37
Rotatable Bonds
0
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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