Molecule

ID:97519

General Information
Structure
MolImage
Molecular Formula
C₅ClF₉O
Molecular Mass
282.4915288
Exact Mass
281.94939628
Charge
0
InChI
InChI=1S/C5ClF9O/c6-5(14,15)4(12,13)3(10,11)2(8,9)1(7)16
InChIKey
UHJPXUQIZVYTEH-UHFFFAOYSA-N
Canonic Smiles
FC(=O)C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
O=C(C(C(F)(C(C(Cl)(F)F)(F)F)F)(F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4633381
LogD (pH = 7.4)
3.4633381
Log P
3.4633381
Molar Refractivity
31.7162
Polarizability
12.259186
Polar Surface Area
17.07
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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