Molecule

ID:9380

General Information
Structure
MolImage
Molecular Formula
C₆H₇Cl₃N₂
Molecular Mass
213.49218
Exact Mass
211.96748127
Charge
0
InChI
InChI=1S/C6H6Cl2N2.ClH/c7-4-1-5(8)3-6(2-4)10-9;/h1-3,10H,9H2;1H
InChIKey
BDXZOJVMTJOAPS-UHFFFAOYSA-N
Canonic Smiles
NNc1cc(Cl)cc(c1)Cl.Cl
Isomeric Smiles
N(N)c1cc(cc(c1)Cl)Cl.Cl
Calculated Properties
JChem
Acid pKa
19.712667
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.4275322
LogD (pH = 7.4)
2.5708077
Log P
2.5729778
Molar Refractivity
45.3743
Polarizability
16.671963
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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