Molecule

ID:19715

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅F₃N₂O
Molecular Mass
248.2448096
Exact Mass
248.11364777
Charge
0
InChI
InChI=1S/C11H15F3N2O/c1-16(2)5-6-17-10-4-3-8(7-9(10)15)11(12,13)14/h3-4,7H,5-6,15H2,1-2H3
InChIKey
QPDDGJVGQBJBFD-UHFFFAOYSA-N
Canonic Smiles
CN(CCOc1ccc(cc1N)C(F)(F)F)C
Isomeric Smiles
C(c1cc(c(cc1)OCCN(C)C)N)(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2095705
LogD (pH = 7.4)
0.46623644
Log P
1.8831416
Molar Refractivity
61.2144
Polarizability
22.14648
Polar Surface Area
38.49
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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