Molecule

ID:61995

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClN₂O₃
Molecular Mass
244.67482
Exact Mass
244.06146997
Charge
0
InChI
InChI=1S/C10H13ClN2O3/c1-7(9(14)3-10(15)16-2)5-13-6-8(11)4-12-13/h4,6-7H,3,5H2,1-2H3
InChIKey
UGUCOOVLZFQBHW-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)CC(=O)OC)Cn1cc(cn1)Cl
Isomeric Smiles
n1(ncc(c1)Cl)CC(C(=O)CC(=O)OC)C
Calculated Properties
JChem
Acid pKa
10.5995655
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.8641961
LogD (pH = 7.4)
1.86394
Log P
1.630881
Molar Refractivity
69.789
Polarizability
22.885757
Polar Surface Area
61.19
Rotatable Bonds
6
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