Molecule

ID:16466

General Information
Structure
MolImage
Molecular Formula
C₉H₉ClO₃
Molecular Mass
200.61896
Exact Mass
200.02402183
Charge
0
InChI
InChI=1S/C9H9ClO3/c1-12-7-2-4-8(5-3-7)13-6-9(10)11/h2-5H,6H2,1H3
InChIKey
JVXJGLIGBHCEDP-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)OCC(=O)Cl
Isomeric Smiles
c1(ccc(cc1)OC)OCC(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6692163
LogD (pH = 7.4)
1.6692163
Log P
1.6692163
Molar Refractivity
48.9275
Polarizability
19.195162
Polar Surface Area
35.53
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