Molecule

ID:118627

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁ClO₂
Molecular Mass
222.66754
Exact Mass
222.04475727
Charge
0
InChI
InChI=1S/C12H11ClO2/c1-2-8-3-4-11-10(5-8)9(7-13)6-12(14)15-11/h3-6H,2,7H2,1H3
InChIKey
PVZSYMGPRXJWAB-UHFFFAOYSA-N
Canonic Smiles
ClCc1cc(=O)oc2c1cc(CC)cc2
Isomeric Smiles
c1(c2c(oc(=O)c1)ccc(c2)CC)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.114565
LogD (pH = 7.4)
3.114565
Log P
3.114565
Molar Refractivity
60.2985
Polarizability
22.967117
Polar Surface Area
26.3
Rotatable Bonds
2
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
暂无数据
点击上传数据
References
Bioactivity
Navigation