Molecule

ID:128688

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₇FN₂O₂
Molecular Mass
370.4603832
Exact Mass
370.20565633
Charge
0
InChI
InChI=1S/C22H27FN2O2/c1-27-17-22(26)25(21-10-6-5-9-20(21)23)19-12-15-24(16-13-19)14-11-18-7-3-2-4-8-18/h2-10,19H,11-17H2,1H3
InChIKey
NYISTOZKVCMVEL-UHFFFAOYSA-N
Canonic Smiles
COCC(=O)N(c1ccccc1F)C1CCN(CC1)CCc1ccccc1
Isomeric Smiles
COCC(=O)N(C1CCN(CC1)CCc1ccccc1)c1ccccc1F
Calculated Properties
JChem
Acid pKa
15.808252
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.1125303
LogD (pH = 7.4)
1.8382647
Log P
3.083543
Molar Refractivity
105.5254
Polarizability
40.5967
Polar Surface Area
32.78
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation