Molecule
ID:93549
General Information
Molecular Formula
C₁₀HF₁₅N₂O
Molecular Mass
450.103788
Exact Mass
449.98493596
Charge
0
InChI
InChI=1S/C10HF15N2O/c11-5(12,8(19,20)9(21,22)10(23,24)25)2-1-3(6(13,14)15)27(26-2)4(28)7(16,17)18/h1H
InChIKey
OMDCXIHSQZTOAB-UHFFFAOYSA-N
Canonic Smiles
O=C(C(F)(F)F)n1nc(cc1C(F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
n1(C(=O)C(F)(F)F)nc(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)cc1C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.893044
LogD (pH = 7.4)
4.893044
Log P
4.893044
Molar Refractivity
55.4828
Polarizability
20.237587
Polar Surface Area
34.89
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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