Molecule

ID:98975

General Information
Structure
MolImage
Molecular Formula
C₄H₄ClF₅
Molecular Mass
182.519576
Exact Mass
181.99216891
Charge
0
InChI
InChI=1S/C4H4ClF5/c5-2-3(6,7)1-4(8,9)10/h1-2H2
InChIKey
FXVNTXMAEDEPNT-UHFFFAOYSA-N
Canonic Smiles
ClCC(CC(F)(F)F)(F)F
Isomeric Smiles
FC(CC(F)(F)F)(F)CCl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.6374416
LogD (pH = 7.4)
2.6374416
Log P
2.6374416
Molar Refractivity
25.8822
Polarizability
9.750771
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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