Molecule

ID:72077

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClN₂O₂
Molecular Mass
240.68612
Exact Mass
240.06655535
Charge
0
InChI
InChI=1S/C11H13ClN2O2/c1-7(12)11(16)14-10-5-3-9(4-6-10)13-8(2)15/h3-7H,1-2H3,(H,13,15)(H,14,16)
InChIKey
ZZPGHQKTWNRUJS-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc(cc1)NC(=O)C(Cl)C
Isomeric Smiles
C(=O)(Nc1ccc(NC(=O)C)cc1)C(Cl)C
Calculated Properties
JChem
Acid pKa
13.426896
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.5547746
LogD (pH = 7.4)
1.5547742
Log P
1.5547746
Molar Refractivity
65.0311
Polarizability
23.794422
Polar Surface Area
58.2
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