Molecule

ID:23304

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉FN₂O₂
Molecular Mass
302.3433632
Exact Mass
302.14305608
Charge
0
InChI
InChI=1S/C17H19FN2O2/c1-2-3-9-22-14-6-4-5-12(10-14)17(21)20-16-11-13(19)7-8-15(16)18/h4-8,10-11H,2-3,9,19H2,1H3,(H,20,21)
InChIKey
PCFMFHHURYMDJO-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1cccc(c1)C(=O)Nc1cc(N)ccc1F
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1F)c1cc(OCCCC)ccc1
Calculated Properties
JChem
Acid pKa
10.606772
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.5416164
LogD (pH = 7.4)
3.544831
Log P
3.5451343
Molar Refractivity
86.8451
Polarizability
31.779474
Polar Surface Area
64.35
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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