Molecule

ID:8871

General Information
Structure
MolImage
Molecular Formula
C₈F₁₅N
Molecular Mass
395.068348
Exact Mass
394.97912231
Charge
0
InChI
InChI=1S/C8F15N/c9-2(10,1-24)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23
InChIKey
FULLNJNBFUCVES-UHFFFAOYSA-N
Canonic Smiles
N#CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(C(C(C(C(C#N)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.1707883
LogD (pH = 7.4)
5.1707883
Log P
5.1707883
Molar Refractivity
40.6412
Polarizability
15.813202
Polar Surface Area
23.79
Rotatable Bonds
6
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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