Molecule

ID:23272

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇FN₂O₃
Molecular Mass
304.3161832
Exact Mass
304.12232063
Charge
0
InChI
InChI=1S/C16H17FN2O3/c1-10(22-13-6-4-12(21-2)5-7-13)16(20)19-15-9-11(18)3-8-14(15)17/h3-10H,18H2,1-2H3,(H,19,20)
InChIKey
ICDHRHPWFCIFDD-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)OC(C(=O)Nc1cc(N)ccc1F)C
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1F)C(Oc1ccc(cc1)OC)C
Calculated Properties
JChem
Acid pKa
11.098611
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.4486327
LogD (pH = 7.4)
2.4525943
Log P
2.4527287
Molar Refractivity
82.757
Polarizability
30.670813
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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