Molecule
ID:100480
General Information
Molecular Formula
C₄F₆N₂O
Molecular Mass
206.0460192
Exact Mass
205.99148195
Charge
0
InChI
InChI=1S/C4F6N2O/c5-3(6,7)1-11-12-2(13-1)4(8,9)10
InChIKey
QJZONKZTJJLSQL-UHFFFAOYSA-N
Canonic Smiles
FC(c1nnc(o1)C(F)(F)F)(F)F
Isomeric Smiles
n1c(oc(n1)C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4654722
LogD (pH = 7.4)
1.4654722
Log P
1.4654722
Molar Refractivity
27.8854
Polarizability
9.404109
Polar Surface Area
38.92
Rotatable Bonds
2
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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