Molecule

ID:130415

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₆FNO₂
Molecular Mass
355.4457432
Exact Mass
355.1947573
Charge
0
InChI
InChI=1S/C22H26FNO2/c1-17-4-8-19(9-5-17)22(26)12-15-24(16-13-22)14-2-3-21(25)18-6-10-20(23)11-7-18/h4-11,26H,2-3,12-16H2,1H3
InChIKey
AGAHNABIDCTLHW-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)C1(O)CCN(CC1)CCCC(=O)c1ccc(cc1)F
Isomeric Smiles
Cc1ccc(cc1)C1(CCN(CC1)CCCC(=O)c1ccc(cc1)F)O
Calculated Properties
JChem
Acid pKa
14.024161
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.96033174
LogD (pH = 7.4)
2.734195
Log P
3.5704906
Molar Refractivity
102.8283
Polarizability
39.372456
Polar Surface Area
40.54
Rotatable Bonds
6
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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