Molecule

ID:7017

General Information
Structure
MolImage
Molecular Formula
C₄H₄ClF₃
Molecular Mass
144.5227696
Exact Mass
143.99536247
Charge
0
InChI
InChI=1S/C4H4ClF3/c5-3(6)1-2-4(3,7)8/h1-2H2
InChIKey
ZZQYDYODFHABLC-UHFFFAOYSA-N
Canonic Smiles
FC1(Cl)CCC1(F)F
Isomeric Smiles
C1(F)(Cl)C(F)(F)CC1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.954632
LogD (pH = 7.4)
1.954632
Log P
1.954632
Molar Refractivity
23.9853
Polarizability
8.983055
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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