Molecule

ID:128145

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₇FN₂O₂
Molecular Mass
394.4817832
Exact Mass
394.20565633
Charge
0
InChI
InChI=1S/C24H27FN2O2/c1-24(2)20-5-3-4-6-21(20)27(23(24)29)16-15-26-13-11-18(12-14-26)22(28)17-7-9-19(25)10-8-17/h3-10,18H,11-16H2,1-2H3
InChIKey
KDXISMANFPJVJY-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(=O)C1CCN(CC1)CCN1c2ccccc2C(C1=O)(C)C
Isomeric Smiles
c1cc(F)ccc1C(=O)C1CCN(CC1)CCN1C(=O)C(C)(C)c2c1cccc2
Calculated Properties
JChem
Acid pKa
16.566053
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2854033
LogD (pH = 7.4)
3.7963812
Log P
4.023813
Molar Refractivity
112.2108
Polarizability
42.982872
Polar Surface Area
40.62
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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