Molecule

ID:15282

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆F₁₇N
Molecular Mass
463.1341944
Exact Mass
463.02287894
Charge
0
InChI
InChI=1S/C10H6F17N/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2,28H2
InChIKey
PFINVJYJNJHTFY-UHFFFAOYSA-N
Canonic Smiles
NCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
NCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(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)
2.4852211
LogD (pH = 7.4)
3.0248544
Log P
5.5044394
Molar Refractivity
52.4967
Polarizability
20.581005
Polar Surface Area
26.02
Rotatable Bonds
9
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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