Molecule

ID:56743

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClO₂
Molecular Mass
212.67272
Exact Mass
212.06040734
Charge
0
InChI
InChI=1S/C11H13ClO2/c1-8-5-4-6-9(7-8)14-11(2,3)10(12)13/h4-7H,1-3H3
InChIKey
ZVTAYKKOZNBZES-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)OC(C(=O)Cl)(C)C
Isomeric Smiles
C(C(=O)Cl)(Oc1cc(ccc1)C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.341839
LogD (pH = 7.4)
3.341839
Log P
3.341839
Molar Refractivity
56.7127
Polarizability
22.074467
Polar Surface Area
26.3
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
暂无数据
点击上传数据
References
Bioactivity
Navigation