Molecule

ID:23314

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇FN₂O₂
Molecular Mass
288.3167832
Exact Mass
288.12740601
Charge
0
InChI
InChI=1S/C16H17FN2O2/c1-10(2)21-15-6-4-3-5-12(15)16(20)19-14-9-11(18)7-8-13(14)17/h3-10H,18H2,1-2H3,(H,19,20)
InChIKey
ROEKLACYPGQRPZ-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccccc1C(=O)Nc1cc(N)ccc1F)C
Isomeric Smiles
C(=O)(c1c(OC(C)C)cccc1)Nc1cc(N)ccc1F
Calculated Properties
JChem
Acid pKa
10.322582
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.9909286
LogD (pH = 7.4)
2.9940736
Log P
2.9946184
Molar Refractivity
82.1389
Polarizability
29.94456
Polar Surface Area
64.35
Rotatable Bonds
4
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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