Molecule

ID:27017

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁Cl₂NO₂
Molecular Mass
248.10584
Exact Mass
247.01668396
Charge
0
InChI
InChI=1S/C10H11Cl2NO2/c1-6(11)10(14)13-8-5-7(12)3-4-9(8)15-2/h3-6H,1-2H3,(H,13,14)
InChIKey
MWBDSENKANTBMF-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1NC(=O)C(Cl)C)Cl
Isomeric Smiles
N(C(=O)C(Cl)C)c1cc(ccc1OC)Cl
Calculated Properties
JChem
Acid pKa
11.740526
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.7634375
LogD (pH = 7.4)
2.763419
Log P
2.7634377
Molar Refractivity
61.4361
Polarizability
23.339472
Polar Surface Area
38.33
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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