Molecule

ID:65315

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇F₂NO₂
Molecular Mass
233.2549864
Exact Mass
233.12273523
Charge
0
InChI
InChI=1S/C11H17F2NO2/c1-9(2,3)16-8(15)14-6-10(7-14)4-11(12,13)5-10/h4-7H2,1-3H3
InChIKey
NABSFZFNNHRMOM-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CC2(C1)CC(C2)(F)F)OC(C)(C)C
Isomeric Smiles
C12(CN(C1)C(=O)OC(C)(C)C)CC(C2)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4181235
LogD (pH = 7.4)
1.4181235
Log P
1.4181235
Molar Refractivity
54.7388
Polarizability
21.02354
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
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Molecule Details
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References
Bioactivity
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