Molecule

ID:82933

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃Cl₂N₃O₂
Molecular Mass
338.18862
Exact Mass
337.03848203
Charge
0
InChI
InChI=1S/C15H13Cl2N3O2/c1-10(21)20(9-11-5-3-2-4-6-11)15(22)18-12-7-13(16)19-14(17)8-12/h2-8H,9H2,1H3,(H,18,19,22)
InChIKey
VGRDVMCERADQCU-UHFFFAOYSA-N
Canonic Smiles
O=C(N(C(=O)C)Cc1ccccc1)Nc1cc(Cl)nc(c1)Cl
Isomeric Smiles
N(C(=O)Nc1cc(nc(c1)Cl)Cl)(C(=O)C)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
11.814678
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.2449393
LogD (pH = 7.4)
3.2449236
Log P
3.2449393
Molar Refractivity
88.2482
Polarizability
32.72957
Polar Surface Area
62.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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