Molecule

ID:100658

General Information
Structure
MolImage
Molecular Formula
C₆ClF₉
Molecular Mass
278.5028288
Exact Mass
277.95448166
Charge
0
InChI
InChI=1S/C6ClF9/c7-2-1(5(12,13)14)3(8,9)6(15,16)4(2,10)11
InChIKey
SPJMTEPSABEJSM-UHFFFAOYSA-N
Canonic Smiles
ClC1=C(C(F)(F)F)C(C(C1(F)F)(F)F)(F)F
Isomeric Smiles
ClC1=C(C(F)(F)C(C1(F)F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.4736953
LogD (pH = 7.4)
3.4736953
Log P
3.4736953
Molar Refractivity
34.2533
Polarizability
12.694104
Polar Surface Area
0.0
Rotatable Bonds
1
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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