Molecule

ID:32089

General Information
Structure
MolImage
Molecular Formula
C₉H₆ClF₅
Molecular Mass
244.588956
Exact Mass
244.00781897
Charge
0
InChI
InChI=1S/C9H6ClF5/c1-8(11,12)5-2-3-7(10)6(4-5)9(13,14)15/h2-4H,1H3
InChIKey
XXRFAXKQLBZEOB-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1C(F)(F)F)C(F)(F)C
Isomeric Smiles
c1cc(cc(c1Cl)C(F)(F)F)C(C)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.09229
LogD (pH = 7.4)
4.09229
Log P
4.09229
Molar Refractivity
46.9423
Polarizability
16.94003
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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