Molecule

ID:109646

General Information
Structure
MolImage
Molecular Formula
C₅H₆ClNO₂
Molecular Mass
147.55964
Exact Mass
147.00870612
Charge
0
InChI
InChI=1S/C5H5NO2.ClH/c7-4-2-1-3-5(8)6-4;/h1-3H,(H2,6,7,8);1H
InChIKey
HNWWAWKDVFVJRG-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc(n1)O.Cl
Isomeric Smiles
Cl.Oc1cccc(O)n1
Calculated Properties
JChem
Acid pKa
11.087138
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.3373559
LogD (pH = 7.4)
1.3372695
Log P
1.3373578
Molar Refractivity
28.4899
Polarizability
10.680485
Polar Surface Area
53.35
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation