Molecule

ID:7966

General Information
Structure
MolImage
Molecular Formula
C₇H₄Cl₃F
Molecular Mass
213.4640632
Exact Mass
211.93626139
Charge
0
InChI
InChI=1S/C7H4Cl3F/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H
InChIKey
JRTYPYSADXRJBQ-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)C(Cl)(Cl)Cl
Isomeric Smiles
c1cc(cc(c1)C(Cl)(Cl)Cl)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.613856
LogD (pH = 7.4)
3.613856
Log P
3.613856
Molar Refractivity
46.7525
Polarizability
17.535624
Polar Surface Area
0.0
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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