Molecule

ID:58534

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁FN₂O₃
Molecular Mass
250.2257432
Exact Mass
250.07537044
Charge
0
InChI
InChI=1S/C12H11FN2O3/c1-17-12(16)11-6-7-15(14-11)8-18-10-4-2-9(13)3-5-10/h2-7H,8H2,1H3
InChIKey
CJSACAPAUMMNLW-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccn(n1)COc1ccc(cc1)F
Isomeric Smiles
n1(ccc(n1)C(=O)OC)COc1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4872856
LogD (pH = 7.4)
2.4872856
Log P
2.4872856
Molar Refractivity
72.1928
Polarizability
23.444315
Polar Surface Area
53.35
Rotatable Bonds
5
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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