Molecule

ID:74591

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁Cl₂NO₃
Molecular Mass
324.15874
Exact Mass
323.01159858
Charge
0
InChI
InChI=1S/C15H11Cl2NO3/c16-10-5-6-13(12(17)8-10)18-15(21)11-4-2-1-3-9(11)7-14(19)20/h1-6,8H,7H2,(H,18,21)(H,19,20)
InChIKey
KMGIHAXAKXRFLZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1ccccc1C(=O)Nc1ccc(cc1Cl)Cl
Isomeric Smiles
N(c1ccc(cc1Cl)Cl)C(=O)c1ccccc1CC(=O)O
Calculated Properties
JChem
Acid pKa
3.6096382
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.0249033
LogD (pH = 7.4)
0.57086635
Log P
3.9109683
Molar Refractivity
82.5087
Polarizability
30.95061
Polar Surface Area
66.4
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