Molecule

ID:44780

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClO₂
Molecular Mass
212.67272
Exact Mass
212.06040734
Charge
0
InChI
InChI=1S/C11H13ClO2/c1-11(2,10(13)14-3)8-4-6-9(12)7-5-8/h4-7H,1-3H3
InChIKey
CDZJDEOJHDQJCR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(c1ccc(cc1)Cl)(C)C
Isomeric Smiles
C(C(=O)OC)(c1ccc(cc1)Cl)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4599335
LogD (pH = 7.4)
3.4599335
Log P
3.4599335
Molar Refractivity
56.015
Polarizability
22.165916
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