Molecule

ID:88904

General Information
Structure
MolImage
Molecular Formula
C₈H₈ClNO
Molecular Mass
169.60822
Exact Mass
169.02944156
Charge
0
InChI
InChI=1S/C8H8ClNO/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,1H3,(H,10,11)
InChIKey
MUUQHCOAOLLHIL-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1cccc(c1)Cl
Isomeric Smiles
N(c1cc(ccc1)Cl)C(=O)C
Calculated Properties
JChem
Acid pKa
14.02834
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8150009
LogD (pH = 7.4)
1.8150008
Log P
1.8150009
Molar Refractivity
45.7258
Polarizability
17.085253
Polar Surface Area
29.1
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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