Molecule

ID:23213

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆ClFN₂O₂
Molecular Mass
322.7618432
Exact Mass
322.08843366
Charge
0
InChI
InChI=1S/C16H16ClFN2O2/c1-9-5-12(6-10(2)16(9)17)22-8-15(21)20-14-7-11(19)3-4-13(14)18/h3-7H,8,19H2,1-2H3,(H,20,21)
InChIKey
UIXPLPIUYXENER-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cc(N)ccc1F)COc1cc(C)c(c(c1)C)Cl
Isomeric Smiles
c1(NC(=O)COc2cc(c(c(c2)C)Cl)C)cc(N)ccc1F
Calculated Properties
JChem
Acid pKa
11.161056
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.6686642
LogD (pH = 7.4)
3.6724029
Log P
3.6725233
Molar Refractivity
86.6871
Polarizability
31.719603
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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