Molecule

ID:9734

General Information
Structure
MolImage
Molecular Formula
C₁₀H₄F₁₆N₂O₂
Molecular Mass
488.1254112
Exact Mass
488.0017289
Charge
0
InChI
InChI=1S/C10H4F16N2O2/c11-3(12,1(27)29)5(15,16)7(19,20)9(23,24)10(25,26)8(21,22)6(17,18)4(13,14)2(28)30/h(H2,27,29)(H2,28,30)
InChIKey
FWBPSSMCLDHZRS-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C(C(C(C(C(C(C(C(C(=O)N)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(=O)(C(C(C(C(C(C(C(C(C(=O)N)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N
Calculated Properties
JChem
Acid pKa
2.3099787
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.281078
LogD (pH = 7.4)
4.281609
Log P
3.727505
Molar Refractivity
55.427
Polarizability
21.932882
Polar Surface Area
86.18
Rotatable Bonds
9
Lipinski's Rule of Five
true
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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