Molecule

ID:98698

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₉N
Molecular Mass
273.0989888
Exact Mass
273.02000311
Charge
0
InChI
InChI=1S/C7H4F9N/c8-5(9,10)4(2-1-3-17,6(11,12)13)7(14,15)16/h1-2H2
InChIKey
ZSUQCQIRAHYPPR-UHFFFAOYSA-N
Canonic Smiles
N#CCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
Isomeric Smiles
FC(C(C(F)(F)F)(C(F)(F)F)CCC#N)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1046238
LogD (pH = 7.4)
3.1046238
Log P
3.1046238
Molar Refractivity
37.2731
Polarizability
13.262083
Polar Surface Area
23.79
Rotatable Bonds
5
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
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References
Bioactivity
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