Molecule

ID:97630

General Information
Structure
Molecular Formula
C₈H₁₃Cl₂F₃
Molecular Mass
237.0900296
Exact Mass
236.03464044
Charge
0
InChI
InChI=1S/C8H13Cl2F3/c1-2-3-4-5-6-7(9,11)8(10,12)13/h2-6H2,1H3
InChIKey
RICKPCMLOQNFRL-UHFFFAOYSA-N
Canonic Smiles
CCCCCCC(C(Cl)(F)F)(Cl)F
Isomeric Smiles
FC(C(CCCCCC)(F)Cl)(F)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.8962812
LogD (pH = 7.4)
4.8962812
Log P
4.8962812
Molar Refractivity
49.6274
Polarizability
18.671705
Polar Surface Area
0.0
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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