Molecule

ID:60700

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉ClN₂O₄
Molecular Mass
302.75396
Exact Mass
302.10333478
Charge
0
InChI
InChI=1S/C13H19ClN2O4/c1-20-12(18)6-10-13(19)15-8-4-2-3-5-9(8)16(10)11(17)7-14/h8-10H,2-7H2,1H3,(H,15,19)
InChIKey
WMSZAZJMNQNIFY-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N1C(CC(=O)OC)C(=O)NC2C1CCCC2
Isomeric Smiles
N1(C(C(=O)NC2C1CCCC2)CC(=O)OC)C(=O)CCl
Calculated Properties
JChem
Acid pKa
13.238945
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.16491474
LogD (pH = 7.4)
0.16491419
Log P
0.16491476
Molar Refractivity
71.2288
Polarizability
28.392487
Polar Surface Area
75.71
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