Molecule

ID:43365

General Information
Structure
Molecular Formula
C₁₁H₁₀ClNO₃
Molecular Mass
239.655
Exact Mass
239.03492087
Charge
0
InChI
InChI=1S/C11H10ClNO3/c1-15-11(14)5-7-2-3-9-8(4-7)13-10(6-12)16-9/h2-4H,5-6H2,1H3
InChIKey
NGJVPZGICVCQPO-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1ccc2c(c1)nc(o2)CCl
Isomeric Smiles
n1c(oc2c1cc(CC(=O)OC)cc2)CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.763916
LogD (pH = 7.4)
1.7639163
Log P
1.7639163
Molar Refractivity
57.9937
Polarizability
23.798916
Polar Surface Area
52.33
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