Molecule

ID:11966

General Information
Structure
MolImage
Molecular Formula
C₇H₃F₇N₂O
Molecular Mass
264.1003424
Exact Mass
264.01336027
Charge
0
InChI
InChI=1S/C7H3F7N2O/c8-5(9,6(10,11)7(12,13)14)4(17)16-2-1-15-3-16/h1-3H
InChIKey
MSYHGYDAVLDKCE-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C(C(F)(F)F)(F)F)(F)F)n1cncc1
Isomeric Smiles
c1ncn(c1)C(=O)C(C(C(F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7075062
LogD (pH = 7.4)
1.7081902
Log P
1.708199
Molar Refractivity
38.6293
Polarizability
14.310233
Polar Surface Area
34.89
Rotatable Bonds
3
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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