Molecule

ID:75455

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇ClO₃
Molecular Mass
222.62448
Exact Mass
222.00837176
Charge
0
InChI
InChI=1S/C11H7ClO3/c1-6-2-10-8(3-9(6)12)11(14)7(4-13)5-15-10/h2-5H,1H3
InChIKey
NULJNFUEBPQUNB-UHFFFAOYSA-N
Canonic Smiles
O=Cc1coc2c(c1=O)cc(c(c2)C)Cl
Isomeric Smiles
o1cc(C=O)c(=O)c2c1cc(c(c2)Cl)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2155735
LogD (pH = 7.4)
2.2155735
Log P
2.2155735
Molar Refractivity
56.283
Polarizability
21.204876
Polar Surface Area
43.37
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