Molecule

ID:18705

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClNO₄
Molecular Mass
241.62782
Exact Mass
241.01418542
Charge
0
InChI
InChI=1S/C10H8ClNO4/c11-6-2-1-3-7-10(6)16-5-8(13)12(7)4-9(14)15/h1-3H,4-5H2,(H,14,15)
InChIKey
GOVMHVYWEWLWKB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1C(=O)COc2c1cccc2Cl
Isomeric Smiles
N1(c2c(OCC1=O)c(Cl)ccc2)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.2605002
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.5195642
LogD (pH = 7.4)
-2.7334638
Log P
0.700708
Molar Refractivity
54.8304
Polarizability
21.419067
Polar Surface Area
66.84
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