Molecule

ID:9712

General Information
Structure
MolImage
Molecular Formula
C₅F₅N
Molecular Mass
169.052216
Exact Mass
168.99509011
Charge
0
InChI
InChI=1S/C5F5N/c6-1-2(7)4(9)11-5(10)3(1)8
InChIKey
XTGOWLIKIQLYRG-UHFFFAOYSA-N
Canonic Smiles
Fc1nc(F)c(c(c1F)F)F
Isomeric Smiles
c1(c(nc(c(c1F)F)F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2569444
LogD (pH = 7.4)
2.2569444
Log P
2.2569444
Molar Refractivity
27.0125
Polarizability
8.934593
Polar Surface Area
12.89
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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