Molecule

ID:72188

General Information
Structure
MolImage
Molecular Formula
C₄H₅ClF₃N₃O
Molecular Mass
203.5502096
Exact Mass
203.00732414
Charge
0
InChI
InChI=1S/C4H4F3N3O.ClH/c5-4(6,7)3-9-2(1-8)10-11-3;/h1,8H2;1H
InChIKey
FRWGOUAWGVYBNE-UHFFFAOYSA-N
Canonic Smiles
NCc1noc(n1)C(F)(F)F.Cl
Isomeric Smiles
c1(nc(no1)CN)C(F)(F)F.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2453005
LogD (pH = 7.4)
0.35221335
Log P
0.66885555
Molar Refractivity
30.1091
Polarizability
10.5385685
Polar Surface Area
64.94
Rotatable Bonds
2
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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