Molecule

ID:116422

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃FN₂O
Molecular Mass
208.2321232
Exact Mass
208.10119127
Charge
0
InChI
InChI=1S/C11H13FN2O/c12-9-1-3-10(4-2-9)14-7-8(6-13)5-11(14)15/h1-4,8H,5-7,13H2
InChIKey
CCSZZNDKFJGOFY-UHFFFAOYSA-N
Canonic Smiles
NCC1CN(C(=O)C1)c1ccc(cc1)F
Isomeric Smiles
N1(C(=O)CC(C1)CN)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.7007973
LogD (pH = 7.4)
-1.9761312
Log P
0.30769628
Molar Refractivity
55.1076
Polarizability
21.202929
Polar Surface Area
46.33
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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