Molecule

ID:43566

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀F₃N₅O
Molecular Mass
343.3474096
Exact Mass
343.16199495
Charge
0
InChI
InChI=1S/C15H20F3N5O/c1-10-13-11(15(16,17)18)9-12(19-14(13)21(2)20-10)23-5-3-22(4-6-23)7-8-24/h9,24H,3-8H2,1-2H3
InChIKey
TWHKFVDHEAYOJK-UHFFFAOYSA-N
Canonic Smiles
OCCN1CCN(CC1)c1cc(c2c(n1)n(C)nc2C)C(F)(F)F
Isomeric Smiles
n1c(cc(c2c1n(nc2C)C)C(F)(F)F)N1CCN(CC1)CCO
Calculated Properties
JChem
Acid pKa
15.593097
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.47453156
LogD (pH = 7.4)
1.1282784
Log P
1.438511
Molar Refractivity
96.7345
Polarizability
31.343641
Polar Surface Area
57.42
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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