Molecule

ID:116851

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁FN₂O₂
Molecular Mass
222.2156432
Exact Mass
222.08045582
Charge
0
InChI
InChI=1S/C11H11FN2O2/c1-14-6-9(15)13-10(11(14)16)7-3-2-4-8(12)5-7/h2-5,10H,6H2,1H3,(H,13,15)
InChIKey
BBMWSDMTZNKTFC-UHFFFAOYSA-N
Canonic Smiles
O=C1CN(C)C(=O)C(N1)c1cccc(c1)F
Isomeric Smiles
C1(=O)N(CC(=O)NC1c1cc(F)ccc1)C
Calculated Properties
JChem
Acid pKa
9.885204
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.09222508
LogD (pH = 7.4)
0.09098431
Log P
0.09224093
Molar Refractivity
55.078
Polarizability
20.966913
Polar Surface Area
49.41
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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