Molecule

ID:69117

General Information
Structure
MolImage
Molecular Formula
C₈H₈ClNO₂
Molecular Mass
185.60762
Exact Mass
185.02435618
Charge
0
InChI
InChI=1S/C8H8ClNO2/c1-5(11)10-6-2-3-8(12)7(9)4-6/h2-4,12H,1H3,(H,10,11)
InChIKey
JULKJDRBSRRBHT-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc(c(c1)Cl)O
Isomeric Smiles
C(=O)(C)Nc1cc(c(cc1)O)Cl
Calculated Properties
JChem
Acid pKa
7.9305162
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.509838
LogD (pH = 7.4)
1.4001242
Log P
1.5114355
Molar Refractivity
47.7067
Polarizability
17.750597
Polar Surface Area
49.33
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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