Molecule

ID:23246

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃Cl₂FN₂O₂
Molecular Mass
343.1803232
Exact Mass
342.03381125
Charge
0
InChI
InChI=1S/C15H13Cl2FN2O2/c1-8(22-14-5-2-9(16)6-11(14)17)15(21)20-13-7-10(19)3-4-12(13)18/h2-8H,19H2,1H3,(H,20,21)
InChIKey
HSFUFMSTWKXSFC-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)OC(C(=O)Nc1cc(N)ccc1F)C
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1F)C(Oc1c(cc(cc1)Cl)Cl)C
Calculated Properties
JChem
Acid pKa
11.098574
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.8155973
LogD (pH = 7.4)
3.81837
Log P
3.8184893
Molar Refractivity
85.9034
Polarizability
31.99385
Polar Surface Area
64.35
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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