Molecule

ID:123362

General Information
Structure
MolImage
Molecular Formula
C₆H₅Cl₃N₂
Molecular Mass
211.4763
Exact Mass
209.95183121
Charge
0
InChI
InChI=1S/C6H5Cl3N2/c7-3-1-4(8)6(11-10)5(9)2-3/h1-2,11H,10H2
InChIKey
MULHANRBCQBHII-UHFFFAOYSA-N
Canonic Smiles
NNc1c(Cl)cc(cc1Cl)Cl
Isomeric Smiles
c1(c(cc(cc1Cl)Cl)Cl)NN
Calculated Properties
JChem
Acid pKa
15.285168
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.1044784
LogD (pH = 7.4)
3.1760294
Log P
3.1770225
Molar Refractivity
50.1791
Polarizability
18.626516
Polar Surface Area
38.05
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