Molecule

ID:56641

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClO₂
Molecular Mass
212.67272
Exact Mass
212.06040734
Charge
0
InChI
InChI=1S/C11H13ClO2/c1-8(2)7-14-10-5-3-9(4-6-10)11(12)13/h3-6,8H,7H2,1-2H3
InChIKey
IPNFCXXOIZDEPI-UHFFFAOYSA-N
Canonic Smiles
CC(COc1ccc(cc1)C(=O)Cl)C
Isomeric Smiles
C(=O)(c1ccc(OCC(C)C)cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2507904
LogD (pH = 7.4)
3.2507904
Log P
3.2507904
Molar Refractivity
57.3801
Polarizability
22.119722
Polar Surface Area
26.3
Rotatable Bonds
4
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