Molecule

ID:33752

General Information
Structure
Molecular Formula
C₇H₇ClO₃
Molecular Mass
174.58168
Exact Mass
174.00837176
Charge
0
InChI
InChI=1S/C7H7ClO3/c1-10-7(9)6-3-2-5(4-8)11-6/h2-3H,4H2,1H3
InChIKey
PWXMEBZOKUPCST-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(o1)CCl
Isomeric Smiles
c1(oc(cc1)CCl)C(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5442126
LogD (pH = 7.4)
1.5442126
Log P
1.5442126
Molar Refractivity
40.2186
Polarizability
15.421407
Polar Surface Area
39.44
Rotatable Bonds
3
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