Molecule

ID:100640

General Information
Structure
MolImage
Molecular Formula
C₇ClF₁₃O
Molecular Mass
382.5065416
Exact Mass
381.94300916
Charge
0
InChI
InChI=1S/C7ClF13O/c8-7(20,21)6(18,19)5(16,17)4(14,15)3(12,13)2(10,11)1(9)22
InChIKey
JSDBFOSAQSKPPJ-UHFFFAOYSA-N
Canonic Smiles
FC(=O)C(C(C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(C(F)(C(F)(F)C(F)(F)C(C(C(=O)F)(F)F)(F)F)F)(F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.8646235
LogD (pH = 7.4)
4.8646235
Log P
4.8646235
Molar Refractivity
41.0522
Polarizability
16.084673
Polar Surface Area
17.07
Rotatable Bonds
6
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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