Molecule

ID:84262

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉Cl₄N₃O₂
Molecular Mass
393.05216
Exact Mass
390.94488726
Charge
0
InChI
InChI=1S/C14H9Cl4N3O2/c1-6-5-9(16)20-12(18)10(6)13(22)21-14(23)19-8-4-2-3-7(15)11(8)17/h2-5H,1H3,(H2,19,21,22,23)
InChIKey
AXYCJNAWIFPXEB-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cccc(c1Cl)Cl)NC(=O)c1c(C)cc(nc1Cl)Cl
Isomeric Smiles
N(C(=O)c1c(cc(nc1Cl)Cl)C)C(=O)Nc1cccc(c1Cl)Cl
Calculated Properties
JChem
Acid pKa
6.877833
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.8546653
LogD (pH = 7.4)
4.2521915
Log P
4.8724756
Molar Refractivity
94.0602
Polarizability
34.5776
Polar Surface Area
71.09
Rotatable Bonds
2
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