Molecule

ID:70187

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃Cl₂N₃O₂
Molecular Mass
338.18862
Exact Mass
337.03848203
Charge
0
InChI
InChI=1S/C15H13Cl2N3O2/c16-13-11-6-7-20(8-12(11)18-14(17)19-13)15(21)22-9-10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKey
XLMNHZAOTDBGMV-UHFFFAOYSA-N
Canonic Smiles
Clc1nc2CN(CCc2c(n1)Cl)C(=O)OCc1ccccc1
Isomeric Smiles
c1(nc2c(c(n1)Cl)CCN(C2)C(=O)OCc1ccccc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.4159234
LogD (pH = 7.4)
3.4159234
Log P
3.4159234
Molar Refractivity
85.9245
Polarizability
32.523407
Polar Surface Area
55.32
Rotatable Bonds
3
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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