Molecule

ID:97103

General Information
Structure
MolImage
Molecular Formula
C₇H₅F₃N₂O₂
Molecular Mass
206.1220096
Exact Mass
206.03031207
Charge
0
InChI
InChI=1S/C7H5F3N2O2/c8-7(9,10)4-1-2-6(12(13)14)5(11)3-4/h1-3H,11H2
InChIKey
AUTLVHYEAAAKNM-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(cc1N)C(F)(F)F
Isomeric Smiles
FC(c1cc(c(cc1)[N+](=O)[O-])N)(F)F
Calculated Properties
JChem
Acid pKa
14.4452715
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.6121526
LogD (pH = 7.4)
2.6121526
Log P
2.6121526
Molar Refractivity
43.0526
Polarizability
14.82309
Polar Surface Area
69.16
Rotatable Bonds
2
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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