Molecule

ID:61984

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄F₆N₂O₅
Molecular Mass
356.2189792
Exact Mass
356.08069088
Charge
0
InChI
InChI=1S/C6H12N2O.2C2HF3O2/c1-8(2)6(9)5-3-7-4-5;2*3-2(4,5)1(6)7/h5,7H,3-4H2,1-2H3;2*(H,6,7)
InChIKey
DNKIFYNAAMTTPX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C(=O)C1CNC1)C
Isomeric Smiles
C(=O)(C1CNC1)N(C)C.C(C(=O)O)(F)(F)F.C(C(=O)O)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.211632
LogD (pH = 7.4)
-3.0324767
Log P
-1.0566807
Molar Refractivity
35.1809
Polarizability
13.794192
Polar Surface Area
32.34
Rotatable Bonds
3
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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