Molecule

ID:129386

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₁FN₂O
Molecular Mass
348.4133432
Exact Mass
348.16379152
Charge
0
InChI
InChI=1S/C22H21FN2O/c23-20-8-5-17(6-9-20)19-11-16(12-24-14-19)13-25-15-21-10-7-18-3-1-2-4-22(18)26-21/h1-6,8-9,11-12,14,21,25H,7,10,13,15H2/t21-/m1/s1
InChIKey
HKFMQJUJWSFOLY-OAQYLSRUSA-N
Canonic Smiles
Fc1ccc(cc1)c1cncc(c1)CNC[C@H]1CCc2c(O1)cccc2
Isomeric Smiles
C1Cc2ccccc2O[C@H]1CNCc1cncc(c1)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1919601
LogD (pH = 7.4)
2.546678
Log P
4.2921233
Molar Refractivity
100.6347
Polarizability
40.24926
Polar Surface Area
34.15
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
References
Bioactivity
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