Molecule

ID:77211

General Information
Structure
Molecular Formula
C₆H₇Cl₃N₂
Molecular Mass
213.49218
Exact Mass
211.96748127
Charge
0
InChI
InChI=1S/C6H6Cl2N2.ClH/c7-4-1-2-5(8)6(3-4)10-9;/h1-3,10H,9H2;1H
InChIKey
RQZTURFFWSJCMT-UHFFFAOYSA-N
Canonic Smiles
NNc1cc(Cl)ccc1Cl.Cl
Isomeric Smiles
N(c1c(ccc(c1)Cl)Cl)N.Cl
Calculated Properties
JChem
Acid pKa
17.447903
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.464069
LogD (pH = 7.4)
2.5714219
Log P
2.5729778
Molar Refractivity
45.3743
Polarizability
16.671743
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
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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