Molecule

ID:82036

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁Cl₃N₂O₂
Molecular Mass
297.56554
Exact Mass
295.98861064
Charge
0
InChI
InChI=1S/C10H11Cl3N2O2/c1-4(2)3-17-10(16)8-5(11)7(14)6(12)9(13)15-8/h4H,3H2,1-2H3,(H2,14,15)
InChIKey
ZURTZOKKQIXKAL-UHFFFAOYSA-N
Canonic Smiles
CC(COC(=O)c1nc(Cl)c(c(c1Cl)N)Cl)C
Isomeric Smiles
n1c(c(c(c(c1C(=O)OCC(C)C)Cl)N)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.3925889
LogD (pH = 7.4)
3.392589
Log P
3.392589
Molar Refractivity
69.4747
Polarizability
26.483543
Polar Surface Area
65.21
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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