Molecule

ID:9587

General Information
Structure
MolImage
Molecular Formula
C₇F₅N
Molecular Mass
193.073616
Exact Mass
192.99509011
Charge
0
InChI
InChI=1S/C7F5N/c8-3-2(1-13)4(9)6(11)7(12)5(3)10
InChIKey
YXWJGZQOGXGSSC-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
c1(c(c(c(c(c1F)F)F)F)F)C#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5428517
LogD (pH = 7.4)
2.5428517
Log P
2.5428517
Molar Refractivity
32.8616
Polarizability
11.443714
Polar Surface Area
23.79
Rotatable Bonds
0
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
References
Bioactivity
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