Molecule

ID:45465

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)14-8-3-4-9(12)10(13)6-8/h3-4,6-7H,5,13H2,1-2H3,(H,14,15)
InChIKey
GFBSQEZIAQMQKQ-UHFFFAOYSA-N
Canonic Smiles
CC(CC(=O)Nc1ccc(c(c1)N)F)C
Isomeric Smiles
C(=O)(Nc1cc(c(cc1)F)N)CC(C)C
Calculated Properties
JChem
Acid pKa
14.360781
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.9566629
LogD (pH = 7.4)
1.9568533
Log P
1.9568558
Molar Refractivity
59.6143
Polarizability
21.549534
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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