Molecule

ID:43593

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃F₃N₄O
Molecular Mass
262.2316296
Exact Mass
262.10414572
Charge
0
InChI
InChI=1S/C10H13F3N4O/c1-18-7-6-15-9(10(11,12)13)16-8(7)17-4-2-14-3-5-17/h6,14H,2-5H2,1H3
InChIKey
PCNXIHPTXWRZJW-UHFFFAOYSA-N
Canonic Smiles
COc1cnc(nc1N1CCNCC1)C(F)(F)F
Isomeric Smiles
c1(cnc(nc1N1CCNCC1)C(F)(F)F)OC
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.3075229
LogD (pH = 7.4)
0.3485555
Log P
1.671513
Molar Refractivity
60.3176
Polarizability
21.66744
Polar Surface Area
50.28
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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