Molecule

ID:23765

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃FN₂O
Molecular Mass
196.2214232
Exact Mass
196.10119127
Charge
0
InChI
InChI=1S/C10H13FN2O/c1-10(2,3)9(14)13-8-5-4-7(11)6-12-8/h4-6H,1-3H3,(H,12,13,14)
InChIKey
WIAYCNUDQFSZFQ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(nc1)NC(=O)C(C)(C)C
Isomeric Smiles
c1(cnc(cc1)NC(=O)C(C)(C)C)F
Calculated Properties
JChem
Acid pKa
12.08863
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5299444
LogD (pH = 7.4)
2.5299706
Log P
2.5299797
Molar Refractivity
52.9964
Polarizability
19.531748
Polar Surface Area
41.99
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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