Molecule

ID:19405

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀F₃N
Molecular Mass
237.2204096
Exact Mass
237.07653399
Charge
0
InChI
InChI=1S/C13H10F3N/c14-13(15,16)11-5-1-3-9(7-11)10-4-2-6-12(17)8-10/h1-8H,17H2
InChIKey
STZPUMRJVDKRJE-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)c1cccc(c1)C(F)(F)F
Isomeric Smiles
C(c1cc(c2cc(N)ccc2)ccc1)(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.6604068
LogD (pH = 7.4)
3.6692793
Log P
3.6693938
Molar Refractivity
61.8683
Polarizability
23.325941
Polar Surface Area
26.02
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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