Molecule

ID:97033

General Information
Structure
Molecular Formula
C₅H₃F₉O₃S
Molecular Mass
314.1261488
Exact Mass
313.96591894
Charge
0
InChI
InChI=1S/C5H3F9O3S/c1-17-18(15,16)5(13,14)3(8,9)2(6,7)4(10,11)12/h1H3
InChIKey
DJQMSULGPPSGHC-UHFFFAOYSA-N
Canonic Smiles
COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
S(=O)(=O)(OC)C(C(C(F)(F)C(F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0052178
LogD (pH = 7.4)
3.0052178
Log P
3.0052178
Molar Refractivity
36.7892
Polarizability
15.06582
Polar Surface Area
43.37
Rotatable Bonds
5
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
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References
Bioactivity
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