Molecule

ID:66010

General Information
Structure
MolImage
Molecular Formula
C₆H₅F₂N
Molecular Mass
129.1074064
Exact Mass
129.03900561
Charge
0
InChI
InChI=1S/C6H5F2N/c7-6(8)5-3-1-2-4-9-5/h1-4,6H
InChIKey
KUHSAAHTEMAJTF-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccccn1)F
Isomeric Smiles
c1(ccccn1)C(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3010958
LogD (pH = 7.4)
1.301611
Log P
1.3016175
Molar Refractivity
28.6314
Polarizability
10.790263
Polar Surface Area
12.89
Rotatable Bonds
1
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
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Molecule Details
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References
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Bioactivity
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