Molecule

ID:40196

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉F₃N₂
Molecular Mass
238.2084696
Exact Mass
238.07178296
Charge
0
InChI
InChI=1S/C12H9F3N2/c13-12(14,15)9-4-5-11(17-7-9)8-2-1-3-10(16)6-8/h1-7H,16H2
InChIKey
HMHNOBLOCBYEFL-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)c1ccc(cn1)C(F)(F)F
Isomeric Smiles
c1(cnc(cc1)c1cccc(c1)N)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.831134
LogD (pH = 7.4)
2.83749
Log P
2.8375716
Molar Refractivity
59.3394
Polarizability
22.475117
Polar Surface Area
38.91
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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