Molecule

ID:27168

General Information
Structure
MolImage
Molecular Formula
C₈H₈F₂N₂O₂
Molecular Mass
202.1581264
Exact Mass
202.05538395
Charge
0
InChI
InChI=1S/C8H8F2N2O2/c9-5-1-2-7(6(10)3-5)14-4-8(13)12-11/h1-3H,4,11H2,(H,12,13)
InChIKey
CTECUEHRWHKWDJ-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)COc1ccc(cc1F)F
Isomeric Smiles
C(=O)(NN)COc1c(cc(cc1)F)F
Calculated Properties
JChem
Acid pKa
10.457301
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.47409934
LogD (pH = 7.4)
0.47478274
Log P
0.47554344
Molar Refractivity
45.3449
Polarizability
16.894989
Polar Surface Area
64.35
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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