Molecule

ID:6633

General Information
Structure
MolImage
Molecular Formula
C₇H₃ClF₃NO₄S
Molecular Mass
289.6162296
Exact Mass
288.94234092
Charge
0
InChI
InChI=1S/C7H3ClF3NO4S/c8-17(15,16)6-2-1-4(7(9,10)11)3-5(6)12(13)14/h1-3H
InChIKey
KXEMVGQZZLRLBE-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(ccc1S(=O)(=O)Cl)C(F)(F)F
Isomeric Smiles
c1c(cc(c(c1)S(=O)(=O)Cl)[N+](=O)[O-])C(F)(F)F
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.7373815
LogD (pH = 7.4)
2.7373815
Log P
2.7373815
Molar Refractivity
52.5464
Polarizability
20.036861
Polar Surface Area
77.28
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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