Molecule

ID:58030

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇FN₂O
Molecular Mass
236.2852832
Exact Mass
236.13249139
Charge
0
InChI
InChI=1S/C13H17FN2O/c1-10(17)11-3-4-13(12(14)9-11)16-7-5-15(2)6-8-16/h3-4,9H,5-8H2,1-2H3
InChIKey
BBYNFAWFUDRNLV-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)c1ccc(cc1F)C(=O)C
Isomeric Smiles
N1(c2c(cc(C(=O)C)cc2)F)CCN(CC1)C
Calculated Properties
JChem
Acid pKa
16.33573
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.6945191
LogD (pH = 7.4)
1.5890114
Log P
1.6287587
Molar Refractivity
67.1559
Polarizability
24.869047
Polar Surface Area
23.55
Rotatable Bonds
2
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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