Molecule

ID:94115

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆FNO₂
Molecular Mass
189.2272432
Exact Mass
189.11650698
Charge
0
InChI
InChI=1S/C9H16FNO2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKey
SUECTKVSIDXQQE-ZETCQYMHSA-N
Canonic Smiles
F[C@H]1CCN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(C[C@H](CC1)F)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.2395062
LogD (pH = 7.4)
1.2395062
Log P
1.2395062
Molar Refractivity
46.8553
Polarizability
18.256605
Polar Surface Area
29.54
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
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References
Bioactivity
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