Molecule

ID:9735

General Information
Structure
MolImage
Molecular Formula
C₁₀F₁₆N₂
Molecular Mass
452.0948512
Exact Mass
451.98059953
Charge
0
InChI
InChI=1S/C10F16N2/c11-3(12,1-27)5(15,16)7(19,20)9(23,24)10(25,26)8(21,22)6(17,18)4(13,14)2-28
InChIKey
BQBPZGPUHIVSAM-UHFFFAOYSA-N
Canonic Smiles
N#CC(C(C(C(C(C(C(C(C#N)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(#N)C(C(C(C(C(C(C(C(C#N)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.457288
LogD (pH = 7.4)
5.457288
Log P
5.457288
Molar Refractivity
49.7412
Polarizability
19.202787
Polar Surface Area
47.58
Rotatable Bonds
7
Lipinski's Rule of Five
false
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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