Molecule

ID:101154

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁ClO₂
Molecular Mass
210.65684
Exact Mass
210.04475727
Charge
0
InChI
InChI=1S/C11H11ClO2/c1-11(2)6-7-4-3-5-8(10(12)13)9(7)14-11/h3-5H,6H2,1-2H3
InChIKey
LSSXEVHVRBTNAQ-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cccc2c1OC(C2)(C)C
Isomeric Smiles
c12c(C(=O)Cl)cccc2CC(O1)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7435274
LogD (pH = 7.4)
2.7435274
Log P
2.7435274
Molar Refractivity
56.0025
Polarizability
21.326101
Polar Surface Area
26.3
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
暂无数据
点击上传数据
References
Bioactivity
Navigation