Molecule

ID:107168

General Information
Structure
MolImage
Molecular Formula
C₂H₇BF₃N
Molecular Mass
112.8898896
Exact Mass
113.06236429
Charge
0
InChI
InChI=1S/C2H7N.BF3/c1-2-3;2-1(3)4/h2-3H2,1H3;
InChIKey
JDVIRCVIXCMTPU-UHFFFAOYSA-N
Canonic Smiles
FB(F)F.CCN
Isomeric Smiles
CCN.FB(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
0.5525
LogD (pH = 7.4)
0.5525
Log P
0.5525
Molar Refractivity
4.5039
Polarizability
2.6677341
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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