Molecule

ID:7612

General Information
Structure
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Molecular Formula
C₇H₆ClF
Molecular Mass
144.5739432
Exact Mass
144.01420609
Charge
0
InChI
InChI=1S/C7H6ClF/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3
InChIKey
NIOGDCDTKPQEAT-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)C)Cl
Isomeric Smiles
c1(ccc(c(c1)C)Cl)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.233414
LogD (pH = 7.4)
3.233414
Log P
3.233414
Molar Refractivity
36.1204
Polarizability
13.644341
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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