Molecule

ID:23273

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇FN₂O₃
Molecular Mass
304.3161832
Exact Mass
304.12232063
Charge
0
InChI
InChI=1S/C16H17FN2O3/c1-10(22-15-6-4-3-5-14(15)21-2)16(20)19-13-9-11(18)7-8-12(13)17/h3-10H,18H2,1-2H3,(H,19,20)
InChIKey
BURWVLSHSSBSHH-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1OC(C(=O)Nc1cc(N)ccc1F)C
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1F)C(Oc1c(OC)cccc1)C
Calculated Properties
JChem
Acid pKa
11.098543
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.4490464
LogD (pH = 7.4)
2.4525995
Log P
2.4527287
Molar Refractivity
82.757
Polarizability
30.673178
Polar Surface Area
73.58
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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