Molecule

ID:42835

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃F₃N₄
Molecular Mass
246.2322296
Exact Mass
246.1092311
Charge
0
InChI
InChI=1S/C10H13F3N4/c11-10(12,13)8-2-4-15-9(16-8)17-6-1-3-14-5-7-17/h2,4,14H,1,3,5-7H2
InChIKey
XVAZHAVSZFQOOQ-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccnc(n1)N1CCNCCC1)(F)F
Isomeric Smiles
c1nc(nc(c1)C(F)(F)F)N1CCCNCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.5465254
LogD (pH = 7.4)
-0.4404681
Log P
1.6242955
Molar Refractivity
58.3194
Polarizability
20.895689
Polar Surface Area
41.05
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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