Molecule

ID:17934

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)9-7-8(15)3-4-10(9)16-5-1-2-6-16/h3-4,7H,1-2,5-6,15H2
InChIKey
VAAASCUUHAHDMZ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C(F)(F)F)N1CCCC1
Isomeric Smiles
c1(c(cc(cc1)N)C(F)(F)F)N1CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.439921
LogD (pH = 7.4)
2.534656
Log P
2.5360096
Molar Refractivity
58.7017
Polarizability
20.345245
Polar Surface Area
29.26
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
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References
Bioactivity
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