Molecule

ID:28276

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂ClNO₂
Molecular Mass
225.67148
Exact Mass
225.05565631
Charge
0
InChI
InChI=1S/C11H12ClNO2/c1-8(14)9-4-2-3-5-10(9)13-11(15)6-7-12/h2-5H,6-7H2,1H3,(H,13,15)
InChIKey
DNLSPVDJKJTNPK-UHFFFAOYSA-N
Canonic Smiles
ClCCC(=O)Nc1ccccc1C(=O)C
Isomeric Smiles
c1(c(NC(=O)CCCl)cccc1)C(=O)C
Calculated Properties
JChem
Acid pKa
12.785508
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1929603
LogD (pH = 7.4)
2.1929586
Log P
2.1929603
Molar Refractivity
60.7764
Polarizability
22.630201
Polar Surface Area
46.17
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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