Molecule

ID:34172

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄FN₃O₂
Molecular Mass
345.4111632
Exact Mass
345.18525524
Charge
0
InChI
InChI=1S/C19H24FN3O2/c20-16-3-1-14(2-4-16)15-11-18(24)17(19(25)12-15)13-22-7-10-23-8-5-21-6-9-23/h1-4,13,15,21-22H,5-12H2/b17-13-
InChIKey
ICSDWUBYXSDJBO-LGMDPLHJSA-N
Canonic Smiles
O=C1CC(CC(=O)/C/1=C\NCCN1CCNCC1)c1ccc(cc1)F
Isomeric Smiles
C1(=O)CC(CC(=O)/C/1=C\NCCN1CCNCC1)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
18.265429
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.5355405
LogD (pH = 7.4)
-0.0927593
Log P
1.5234467
Molar Refractivity
95.3628
Polarizability
36.56548
Polar Surface Area
61.44
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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