Molecule

ID:97483

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆F₃N₃O₂
Molecular Mass
303.2802496
Exact Mass
303.11946143
Charge
0
InChI
InChI=1S/C13H16F3N3O2/c1-2-21-11(20)9-4-7-19(8-5-9)12-17-6-3-10(18-12)13(14,15)16/h3,6,9H,2,4-5,7-8H2,1H3
InChIKey
HWGLRBSZHOOUNW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)c1nccc(n1)C(F)(F)F
Isomeric Smiles
n1c(nc(cc1)C(F)(F)F)N1CCC(C(=O)OCC)CC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.675572
LogD (pH = 7.4)
2.6760705
Log P
2.676077
Molar Refractivity
70.5982
Polarizability
25.742117
Polar Surface Area
55.32
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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