Molecule

ID:40712

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClN₂O₂
Molecular Mass
240.68612
Exact Mass
240.06655535
Charge
0
InChI
InChI=1S/C11H13ClN2O2/c1-3-16-11(15)10(12)14-13-9-6-4-8(2)5-7-9/h4-7,13H,3H2,1-2H3/b14-10+
InChIKey
IZJHYJDZIJLTOD-GXDHUFHOSA-N
Canonic Smiles
CCOC(=O)/C(=N\Nc1ccc(cc1)C)/Cl
Isomeric Smiles
C(=N\Nc1ccc(cc1)C)(\C(=O)OCC)/Cl
Calculated Properties
JChem
Acid pKa
10.902768
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.6338975
LogD (pH = 7.4)
3.6337655
Log P
3.6338995
Molar Refractivity
64.5937
Polarizability
23.973131
Polar Surface Area
50.69
Rotatable Bonds
5
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