Molecule

ID:22923

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄Cl₂N₂O₂
Molecular Mass
325.18986
Exact Mass
324.04323306
Charge
0
InChI
InChI=1S/C15H14Cl2N2O2/c1-9-12(18)3-2-4-13(9)19-15(20)8-21-14-6-5-10(16)7-11(14)17/h2-7H,8,18H2,1H3,(H,19,20)
InChIKey
YDQWEMRSIXIKOX-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cccc(c1C)N)COc1ccc(cc1Cl)Cl
Isomeric Smiles
c1(c(NC(=O)COc2c(cc(cc2)Cl)Cl)cccc1N)C
Calculated Properties
JChem
Acid pKa
12.600629
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.6157317
LogD (pH = 7.4)
3.6203823
Log P
3.6204445
Molar Refractivity
86.2343
Polarizability
32.17511
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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