Molecule

ID:23282

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄ClFN₂O₂
Molecular Mass
308.7352632
Exact Mass
308.0727836
Charge
0
InChI
InChI=1S/C15H14ClFN2O2/c1-9(21-14-5-3-2-4-11(14)16)15(20)19-13-8-10(18)6-7-12(13)17/h2-9H,18H2,1H3,(H,19,20)
InChIKey
JOKAIKYXPDRPJY-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)NC(=O)C(Oc1ccccc1Cl)C)F
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1F)C(Oc1c(Cl)cccc1)C
Calculated Properties
JChem
Acid pKa
11.098574
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.2113512
LogD (pH = 7.4)
3.214323
Log P
3.2144446
Molar Refractivity
81.0986
Polarizability
30.063292
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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