Molecule

ID:63604

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇FN₂O₂
Molecular Mass
204.2418832
Exact Mass
204.12740601
Charge
0
InChI
InChI=1S/C9H17FN2O2/c1-9(2,3)14-8(13)12-4-6(10)7(11)5-12/h6-7H,4-5,11H2,1-3H3/t6-,7+/m0/s1
InChIKey
DXQXHFOCKKIWJL-NKWVEPMBSA-N
Canonic Smiles
F[C@H]1CN(C[C@H]1N)C(=O)OC(C)(C)C
Isomeric Smiles
N[C@H]1[C@@H](F)CN(C(=O)OC(C)(C)C)C1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.051969
LogD (pH = 7.4)
-0.36903894
Log P
0.44232973
Molar Refractivity
49.6099
Polarizability
19.784765
Polar Surface Area
55.56
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
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Molecule Details
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References
Bioactivity
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