Molecule

ID:9031

General Information
Structure
MolImage
Molecular Formula
C₆H₅F₂N
Molecular Mass
129.1074064
Exact Mass
129.03900561
Charge
0
InChI
InChI=1S/C6H5F2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2
InChIKey
AXNUZKSSQHTNPZ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)F)F
Isomeric Smiles
c1c(c(cc(c1)N)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.4289774
LogD (pH = 7.4)
1.4297143
Log P
1.4297237
Molar Refractivity
31.1912
Polarizability
10.914375
Polar Surface Area
26.02
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
No Data Available
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Molecule Details
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References
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Bioactivity
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