Molecule

ID:23294

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₁FN₂O₂
Molecular Mass
316.3699432
Exact Mass
316.15870614
Charge
0
InChI
InChI=1S/C18H21FN2O2/c1-2-3-6-11-23-17-8-5-4-7-14(17)18(22)21-16-12-13(20)9-10-15(16)19/h4-5,7-10,12H,2-3,6,11,20H2,1H3,(H,21,22)
InChIKey
BWZBSSDGGQGTOK-UHFFFAOYSA-N
Canonic Smiles
CCCCCOc1ccccc1C(=O)Nc1cc(N)ccc1F
Isomeric Smiles
C(=O)(c1c(OCCCCC)cccc1)Nc1cc(N)ccc1F
Calculated Properties
JChem
Acid pKa
10.326833
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.9858608
LogD (pH = 7.4)
3.989161
Log P
3.989703
Molar Refractivity
91.4461
Polarizability
33.61934
Polar Surface Area
64.35
Rotatable Bonds
7
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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