Molecule

ID:34607

General Information
Structure
MolImage
Molecular Formula
C₃H₂F₃N₃O
Molecular Mass
153.0626896
Exact Mass
153.01499636
Charge
0
InChI
InChI=1S/C3H2F3N3O/c4-3(5,6)1-8-9-2(7)10-1/h(H2,7,9)
InChIKey
VMBAPDLMDFSJBH-UHFFFAOYSA-N
Canonic Smiles
FC(c1nnc(o1)N)(F)F
Isomeric Smiles
n1nc(oc1C(F)(F)F)N
Calculated Properties
JChem
Acid pKa
11.197803
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.065402135
LogD (pH = 7.4)
0.06533791
Log P
0.06540296
Molar Refractivity
26.6082
Polarizability
8.544188
Polar Surface Area
64.94
Rotatable Bonds
1
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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