Molecule

ID:15284

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₁₃N
Molecular Mass
349.0926016
Exact Mass
349.01361599
Charge
0
InChI
InChI=1S/C7H4F13N/c8-2(9,1-21)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h1,21H2
InChIKey
RWJCANHSJXNRDM-UHFFFAOYSA-N
Canonic Smiles
NCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(C(C(C(C(C(CN)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.9732786
LogD (pH = 7.4)
3.540294
Log P
3.832851
Molar Refractivity
38.7089
Polarizability
15.1723175
Polar Surface Area
26.02
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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