Molecule

ID:67685

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃F₃N₂
Molecular Mass
230.2295296
Exact Mass
230.10308309
Charge
0
InChI
InChI=1S/C11H13F3N2/c12-11(13,14)9-1-3-10(4-2-9)16-7-5-15-6-8-16/h1-4,15H,5-8H2
InChIKey
IBQMAPSJLHRQPE-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(cc1)N1CCNCC1)(F)F
Isomeric Smiles
N1(CCNCC1)c1ccc(cc1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5820262
LogD (pH = 7.4)
0.9353092
Log P
2.42321
Molar Refractivity
57.2157
Polarizability
20.696947
Polar Surface Area
15.27
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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