Molecule

ID:95841

General Information
Structure
MolImage
Molecular Formula
C₁₀H₃F₁₀NO₅
Molecular Mass
407.118552
Exact Mass
406.9851544
Charge
0
InChI
InChI=1S/C10H3F10NO5/c11-7(12,13)9(17,18)25-4-1-3(21(23)24)2-5(6(4)22)26-10(19,20)8(14,15)16/h1-2,22H
InChIKey
DEOKUSPOZQDNNK-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(OC(C(F)(F)F)(F)F)c(c(c1)OC(C(F)(F)F)(F)F)O
Isomeric Smiles
[N+](=O)(c1cc(c(c(c1)OC(C(F)(F)F)(F)F)O)OC(C(F)(F)F)(F)F)[O-]
Calculated Properties
JChem
Acid pKa
6.3764167
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
4.847165
LogD (pH = 7.4)
3.8811295
Log P
4.900792
Molar Refractivity
60.3204
Polarizability
21.554522
Polar Surface Area
84.51
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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