Molecule

ID:96402

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅F₃N₂
Molecular Mass
268.2775096
Exact Mass
268.11873315
Charge
0
InChI
InChI=1S/C14H15F3N2/c1-13(2,3)19-9-11(10-7-5-4-6-8-10)12(18-19)14(15,16)17/h4-9H,1-3H3
InChIKey
BPBDALHSWAYTMH-UHFFFAOYSA-N
Canonic Smiles
FC(c1nn(cc1c1ccccc1)C(C)(C)C)(F)F
Isomeric Smiles
n1c(c(cn1C(C)(C)C)c1ccccc1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.365989
LogD (pH = 7.4)
4.3659897
Log P
4.3659897
Molar Refractivity
79.5049
Polarizability
26.318966
Polar Surface Area
17.82
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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