Molecule

ID:98226

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈F₃N
Molecular Mass
211.1831296
Exact Mass
211.06088392
Charge
0
InChI
InChI=1S/C11H8F3N/c1-7-2-4-9-8(6-7)3-5-10(15-9)11(12,13)14/h2-6H,1H3
InChIKey
AXLVKRXDCFWRLD-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)ccc(n2)C(F)(F)F
Isomeric Smiles
n1c(ccc2c1ccc(c2)C)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.908005
LogD (pH = 7.4)
3.9080205
Log P
3.9080207
Molar Refractivity
50.6222
Polarizability
19.670782
Polar Surface Area
12.89
Rotatable Bonds
1
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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