Molecule

ID:23311

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇FN₂O₃
Molecular Mass
304.3161832
Exact Mass
304.12232063
Charge
0
InChI
InChI=1S/C16H17FN2O3/c1-21-8-9-22-13-5-2-11(3-6-13)16(20)19-15-10-12(18)4-7-14(15)17/h2-7,10H,8-9,18H2,1H3,(H,19,20)
InChIKey
JESGLVAVPMWRJQ-UHFFFAOYSA-N
Canonic Smiles
COCCOc1ccc(cc1)C(=O)Nc1cc(N)ccc1F
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1F)c1ccc(cc1)OCCOC
Calculated Properties
JChem
Acid pKa
10.920723
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.170761
LogD (pH = 7.4)
2.17409
Log P
2.17426
Molar Refractivity
84.015
Polarizability
30.662151
Polar Surface Area
73.58
Rotatable Bonds
6
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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