Molecule

ID:53691

General Information
Structure
MolImage
Molecular Formula
C₇H₇F₂N
Molecular Mass
143.1339864
Exact Mass
143.05465567
Charge
0
InChI
InChI=1S/C7H7F2N/c8-7(9)5-2-1-3-6(10)4-5/h1-4,7H,10H2
InChIKey
IDFPXKDJNDYDKA-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)C(F)F
Isomeric Smiles
Nc1cc(ccc1)C(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5274163
LogD (pH = 7.4)
1.5333319
Log P
1.5334078
Molar Refractivity
35.8424
Polarizability
12.773913
Polar Surface Area
26.02
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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