Molecule

ID:96896

General Information
Structure
Molecular Formula
C₄H₂F₁₀N₂O₂
Molecular Mass
300.054912
Exact Mass
299.99565951
Charge
0
InChI
InChI=1S/C4H2F10N2O2/c5-1(6,15(17)3(9,10)11)2(7,8)16(18)4(12,13)14/h17-18H
InChIKey
NONRDSNPLHJJPO-UHFFFAOYSA-N
Canonic Smiles
ON(C(C(N(C(F)(F)F)O)(F)F)(F)F)C(F)(F)F
Isomeric Smiles
N(C(C(N(C(F)(F)F)O)(F)F)(F)F)(C(F)(F)F)O
Calculated Properties
JChem
Acid pKa
12.0466795
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.5528655
LogD (pH = 7.4)
3.552856
Log P
3.5528657
Molar Refractivity
25.2914
Polarizability
12.879638
Polar Surface Area
46.94
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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