Molecule

ID:19014

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂ClNO
Molecular Mass
209.67208
Exact Mass
209.06074169
Charge
0
InChI
InChI=1S/C11H12ClNO/c12-7-11(14)13-10-5-4-8-2-1-3-9(8)6-10/h4-6H,1-3,7H2,(H,13,14)
InChIKey
XCKKTHZBBNGEAK-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1ccc2c(c1)CCC2
Isomeric Smiles
c12cc(NC(=O)CCl)ccc1CCC2
Calculated Properties
JChem
Acid pKa
13.749548
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.7559855
LogD (pH = 7.4)
2.7559853
Log P
2.7559855
Molar Refractivity
58.5554
Polarizability
21.6746
Polar Surface Area
29.1
Rotatable Bonds
2
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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