Molecule

ID:93281

General Information
Structure
MolImage
Molecular Formula
C₇H₇ClFN
Molecular Mass
159.5885832
Exact Mass
159.02510513
Charge
0
InChI
InChI=1S/C7H7ClFN/c1-4-2-7(10)5(8)3-6(4)9/h2-3H,10H2,1H3
InChIKey
OXINUINVVAJJSE-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(Cl)c(cc1C)N
Isomeric Smiles
Nc1c(cc(c(c1)C)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.4039958
LogD (pH = 7.4)
2.4044816
Log P
2.4044878
Molar Refractivity
40.8208
Polarizability
14.819785
Polar Surface Area
26.02
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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