Molecule

ID:45464

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅FN₂O
Molecular Mass
210.2480032
Exact Mass
210.11684133
Charge
0
InChI
InChI=1S/C11H15FN2O/c1-7(2)5-11(15)14-10-6-8(13)3-4-9(10)12/h3-4,6-7H,5,13H2,1-2H3,(H,14,15)
InChIKey
SFZWVHLJZBEVME-UHFFFAOYSA-N
Canonic Smiles
CC(CC(=O)Nc1cc(N)ccc1F)C
Isomeric Smiles
c1(NC(=O)CC(C)C)cc(N)ccc1F
Calculated Properties
JChem
Acid pKa
11.901313
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.9511498
LogD (pH = 7.4)
1.9567704
Log P
1.9568558
Molar Refractivity
59.6143
Polarizability
21.549183
Polar Surface Area
55.12
Rotatable Bonds
3
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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