Molecule

ID:75798

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈ClNO₃
Molecular Mass
237.63912
Exact Mass
237.0192708
Charge
0
InChI
InChI=1S/C11H8ClNO3/c1-15-11(14)9-10(16-6-13-9)7-3-2-4-8(12)5-7/h2-6H,1H3
InChIKey
PSEFUIFASINPKU-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ncoc1c1cccc(c1)Cl
Isomeric Smiles
n1coc(c1C(=O)OC)c1cc(ccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2757356
LogD (pH = 7.4)
2.2757356
Log P
2.2757356
Molar Refractivity
58.2392
Polarizability
23.587523
Polar Surface Area
52.33
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