Molecule

ID:95473

General Information
Structure
MolImage
Molecular Formula
C₅H₃F₈NO
Molecular Mass
245.0706456
Exact Mass
245.00868948
Charge
0
InChI
InChI=1S/C5H3F8NO/c6-1(7)3(8,9)5(12,13)4(10,11)2(14)15/h1H,(H2,14,15)
InChIKey
QNNUQHBPTQVSFD-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(=O)N)(F)F)(F)F)(F)F)F
Isomeric Smiles
FC(C(C(=O)N)(F)F)(C(C(F)F)(F)F)F
Calculated Properties
JChem
Acid pKa
4.763359
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.9593034
LogD (pH = 7.4)
1.9917915
Log P
1.7152079
Molar Refractivity
28.5904
Polarizability
11.254954
Polar Surface Area
43.09
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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