Molecule

ID:66142

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClF₂
Molecular Mass
202.6282664
Exact Mass
202.03608441
Charge
0
InChI
InChI=1S/C10H9ClF2/c11-9-5-3-8(4-6-9)10(12,13)7-1-2-7/h3-7H,1-2H2
InChIKey
BQKJRSBRKWJRJF-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(cc1)Cl)(C1CC1)F
Isomeric Smiles
c1(ccc(cc1)C(F)(F)C1CC1)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.866912
LogD (pH = 7.4)
3.866912
Log P
3.866912
Molar Refractivity
48.0516
Polarizability
18.30514
Polar Surface Area
0.0
Rotatable Bonds
2
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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