Molecule

ID:62537

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₇FN₂O
Molecular Mass
354.4609832
Exact Mass
354.21074171
Charge
0
InChI
InChI=1S/C22H27FN2O/c1-16(2)25-21(26)22(10-12-24-13-11-22)15-18-6-3-4-9-20(18)17-7-5-8-19(23)14-17/h3-9,14,16,24H,10-13,15H2,1-2H3,(H,25,26)
InChIKey
GVVORTNSYMTDDJ-UHFFFAOYSA-N
Canonic Smiles
CC(NC(=O)C1(CCNCC1)Cc1ccccc1c1cccc(c1)F)C
Isomeric Smiles
C(=O)(C1(Cc2c(c3cc(F)ccc3)cccc2)CCNCC1)NC(C)C
Calculated Properties
JChem
Acid pKa
15.323484
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.7698148
LogD (pH = 7.4)
1.3757269
Log P
3.9946628
Molar Refractivity
103.5112
Polarizability
41.366817
Polar Surface Area
41.13
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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