Molecule

ID:23281

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇FN₂O₂
Molecular Mass
288.3167832
Exact Mass
288.12740601
Charge
0
InChI
InChI=1S/C16H17FN2O2/c1-2-15(21-12-6-4-3-5-7-12)16(20)19-14-10-11(18)8-9-13(14)17/h3-10,15H,2,18H2,1H3,(H,19,20)
InChIKey
WSBVDUAHXIXGPL-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)Nc1cc(N)ccc1F)Oc1ccccc1
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1F)C(Oc1ccccc1)CC
Calculated Properties
JChem
Acid pKa
11.089592
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.128273
LogD (pH = 7.4)
3.1327791
Log P
3.1329224
Molar Refractivity
80.8178
Polarizability
29.967884
Polar Surface Area
64.35
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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