Molecule

ID:57329

General Information
Structure
MolImage
Molecular Formula
C₇ClF₁₁O
Molecular Mass
344.5097352
Exact Mass
343.94620272
Charge
0
InChI
InChI=1S/C7ClF11O/c8-1(20)2(9)3(10,11)5(14,15)7(18,19)6(16,17)4(2,12)13
InChIKey
JBOWALSHDVHATH-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F
Isomeric Smiles
C1(C(C(C(C(C1(F)C(=O)Cl)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.0034304
LogD (pH = 7.4)
4.0034304
Log P
4.0034304
Molar Refractivity
37.5933
Polarizability
15.183901
Polar Surface Area
17.07
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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