Molecule

ID:79797

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₅ClN₂O₂
Molecular Mass
338.7876
Exact Mass
338.08220541
Charge
0
InChI
InChI=1S/C19H15ClN2O2/c1-2-24-19(23)16-15(13-9-5-3-6-10-13)17(21-22-18(16)20)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKey
LFVRLXRBMMFAGL-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(Cl)nnc(c1c1ccccc1)c1ccccc1
Isomeric Smiles
n1nc(c(c(c1c1ccccc1)c1ccccc1)C(=O)OCC)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.640611
LogD (pH = 7.4)
4.640611
Log P
4.640611
Molar Refractivity
96.3048
Polarizability
38.71703
Polar Surface Area
52.08
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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