Molecule

ID:22818

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄Cl₂N₂O₃
Molecular Mass
341.18926
Exact Mass
340.03814768
Charge
0
InChI
InChI=1S/C15H14Cl2N2O3/c1-21-14-5-3-10(18)7-12(14)19-15(20)8-22-13-4-2-9(16)6-11(13)17/h2-7H,8,18H2,1H3,(H,19,20)
InChIKey
VRIBOYAUWQOZIN-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1NC(=O)COc1ccc(cc1Cl)Cl)N
Isomeric Smiles
c1(NC(=O)COc2c(cc(cc2)Cl)Cl)cc(N)ccc1OC
Calculated Properties
JChem
Acid pKa
11.565959
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.9166737
LogD (pH = 7.4)
2.9488964
Log P
2.9493518
Molar Refractivity
87.6563
Polarizability
32.96349
Polar Surface Area
73.58
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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