Molecule

ID:56032

General Information
Structure
MolImage
Molecular Formula
C₈H₈ClNO₂
Molecular Mass
185.60762
Exact Mass
185.02435618
Charge
0
InChI
InChI=1S/C8H8ClNO2/c1-5(11)10-7-4-2-3-6(9)8(7)12/h2-4,12H,1H3,(H,10,11)
InChIKey
IQLBBNGPBGJWPY-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1cccc(c1O)Cl
Isomeric Smiles
c1(c(NC(=O)C)cccc1Cl)O
Calculated Properties
JChem
Acid pKa
7.2845926
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.5044163
LogD (pH = 7.4)
1.153191
Log P
1.5114355
Molar Refractivity
47.7067
Polarizability
17.752161
Polar Surface Area
49.33
Rotatable Bonds
1
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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