Molecule

ID:58239

General Information
Structure
MolImage
Molecular Formula
C₇H₇Cl₂N₃O
Molecular Mass
220.05598
Exact Mass
218.99661722
Charge
0
InChI
InChI=1S/C7H7Cl2N3O/c8-4-1-2-6(5(9)3-4)11-7(13)12-10/h1-3H,10H2,(H2,11,12,13)
InChIKey
UQRODDZHYZHAKL-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)Nc1ccc(cc1Cl)Cl
Isomeric Smiles
c1c(cc(c(c1)NC(=O)NN)Cl)Cl
Calculated Properties
JChem
Acid pKa
11.634789
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
1.7879586
LogD (pH = 7.4)
1.7889868
Log P
1.7890244
Molar Refractivity
53.6914
Polarizability
19.797392
Polar Surface Area
67.15
Rotatable Bonds
1
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