Molecule

ID:51437

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆FNO₃
Molecular Mass
217.2373432
Exact Mass
217.1114216
Charge
0
InChI
InChI=1S/C10H16FNO3/c1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12/h7H,4-6H2,1-3H3
InChIKey
JZNWQLLPLOQGOI-UHFFFAOYSA-N
Canonic Smiles
O=C1CCN(CC1F)C(=O)OC(C)(C)C
Isomeric Smiles
N1(CC(C(=O)CC1)F)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
15.489644
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2492112
LogD (pH = 7.4)
1.2492112
Log P
1.2492112
Molar Refractivity
51.81
Polarizability
20.229368
Polar Surface Area
46.61
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
No Data Available
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Molecule Details
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References
Bioactivity
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