Molecule

ID:95068

General Information
Structure
MolImage
Molecular Formula
C₇H₇F₂N
Molecular Mass
143.1339864
Exact Mass
143.05465567
Charge
0
InChI
InChI=1S/C7H7F2N/c1-10-7-3-2-5(8)4-6(7)9/h2-4,10H,1H3
InChIKey
RPGDVPAENGWKAO-UHFFFAOYSA-N
Canonic Smiles
CNc1ccc(cc1F)F
Isomeric Smiles
N(c1c(cc(cc1)F)F)C
Calculated Properties
JChem
Acid pKa
19.613907
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.728794
LogD (pH = 7.4)
1.7313945
Log P
1.7314278
Molar Refractivity
36.6846
Polarizability
12.724885
Polar Surface Area
12.03
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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