Molecule

ID:124830

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇Cl₂N₃
Molecular Mass
240.08868
Exact Mass
239.0017026
Charge
0
InChI
InChI=1S/C10H7Cl2N3/c11-6-1-2-7(8(12)5-6)9-3-4-14-10(13)15-9/h1-5H,(H2,13,14,15)
InChIKey
IIQPBSILLIMQBY-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)c1ccnc(n1)N
Isomeric Smiles
n1c(c2c(cc(cc2)Cl)Cl)ccnc1N
Calculated Properties
JChem
Acid pKa
16.492039
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.1330876
LogD (pH = 7.4)
3.1406631
Log P
3.1407607
Molar Refractivity
61.7425
Polarizability
24.375902
Polar Surface Area
51.8
Rotatable Bonds
1
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