Molecule

ID:50860

General Information
Structure
Molecular Formula
C₇H₇F₂N
Molecular Mass
143.1339864
Exact Mass
143.05465567
Charge
0
InChI
InChI=1S/C7H7F2N/c1-4-2-5(8)6(9)3-7(4)10/h2-3H,10H2,1H3
InChIKey
HKAMTWLPOCYTMX-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(F)c(cc1C)F
Isomeric Smiles
Nc1c(cc(c(c1)F)F)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.9425519
LogD (pH = 7.4)
1.9431376
Log P
1.9431452
Molar Refractivity
36.2324
Polarizability
12.65237
Polar Surface Area
26.02
Rotatable Bonds
0
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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