Molecule

ID:68809

General Information
Structure
MolImage
Molecular Formula
C₆H₇Cl₃N₂
Molecular Mass
213.49218
Exact Mass
211.96748127
Charge
0
InChI
InChI=1S/C6H6Cl2N2.ClH/c7-4-2-1-3-5(8)6(4)10-9;/h1-3,10H,9H2;1H
InChIKey
CQNIYLLTIOPFCJ-UHFFFAOYSA-N
Canonic Smiles
NNc1c(Cl)cccc1Cl.Cl
Isomeric Smiles
N(N)c1c(cccc1Cl)Cl.Cl
Calculated Properties
JChem
Acid pKa
15.571664
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.4900777
LogD (pH = 7.4)
2.5718293
Log P
2.5729778
Molar Refractivity
45.3743
Polarizability
16.682453
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
References
Bioactivity
Navigation