Molecule

ID:90653

General Information
Structure
Molecular Formula
C₁₁H₁₁ClO₂
Molecular Mass
210.65684
Exact Mass
210.04475727
Charge
0
InChI
InChI=1S/C11H11ClO2/c12-9-4-1-3-8(7-9)11(10(13)14)5-2-6-11/h1,3-4,7H,2,5-6H2,(H,13,14)
InChIKey
RCVMSQRTMODMHH-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)C1(CCC1)C(=O)O
Isomeric Smiles
OC(=O)C1(c2cccc(c2)Cl)CCC1
Calculated Properties
JChem
Acid pKa
3.94164
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7292953
LogD (pH = 7.4)
0.103300795
Log P
3.294882
Molar Refractivity
54.0447
Polarizability
21.199402
Polar Surface Area
37.3
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