Molecule

ID:98676

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂F₁₅N
Molecular Mass
433.116328
Exact Mass
432.99477237
Charge
0
InChI
InChI=1S/C11H2F15N/c12-7(13,14)1-2(8(15,16)17)4(10(21,22)23)6(27)5(11(24,25)26)3(1)9(18,19)20/h27H2
InChIKey
CMRZEKXRBBEZIP-UHFFFAOYSA-N
Canonic Smiles
Nc1c(c(c(c(c1C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
Isomeric Smiles
FC(c1c(c(c(c(c1C(F)(F)F)C(F)(F)F)N)C(F)(F)F)C(F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
15.146946
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.533562
LogD (pH = 7.4)
5.533562
Log P
5.533562
Molar Refractivity
60.6269
Polarizability
20.24059
Polar Surface Area
26.02
Rotatable Bonds
5
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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