Molecule

ID:15292

General Information
Structure
MolImage
Molecular Formula
C₇H₂F₁₃NO
Molecular Mass
363.0761216
Exact Mass
362.99288055
Charge
0
InChI
InChI=1S/C7H2F13NO/c8-2(9,1(21)22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h(H2,21,22)
InChIKey
SMJYTRJJHRJAED-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N
Calculated Properties
JChem
Acid pKa
3.2639632
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.8811252
LogD (pH = 7.4)
3.8822944
Log P
3.605254
Molar Refractivity
38.8161
Polarizability
15.247322
Polar Surface Area
43.09
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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