Molecule

ID:80490

General Information
Structure
Molecular Formula
C₈H₅ClO₃
Molecular Mass
184.5765
Exact Mass
183.9927217
Charge
0
InChI
InChI=1S/C8H5ClO3/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2
InChIKey
ZRSGZIMDIHBXIN-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccc2c(c1)OCO2
Isomeric Smiles
O1c2cc(ccc2OC1)C(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7873918
LogD (pH = 7.4)
1.7873918
Log P
1.7873918
Molar Refractivity
42.9396
Polarizability
16.637402
Polar Surface Area
35.53
Rotatable Bonds
1
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