Molecule
ID:96274
General Information
Molecular Formula
C₅HF₈N
Molecular Mass
227.0553656
Exact Mass
226.9981248
Charge
0
InChI
InChI=1S/C5HF8N/c6-2(7)4(10,11)5(12,13)3(8,9)1-14/h2H
InChIKey
RLAXGPNFIAFXPB-UHFFFAOYSA-N
Canonic Smiles
N#CC(C(C(C(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
N#CC(C(C(C(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
19.771378
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5800993
LogD (pH = 7.4)
2.5800993
Log P
2.5800993
Molar Refractivity
25.7475
Polarizability
9.885614
Polar Surface Area
23.79
Rotatable Bonds
3
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
No Data Available
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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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