Molecule

ID:18846

General Information
Structure
MolImage
Molecular Formula
C₆H₆Cl₂N₂
Molecular Mass
177.03124
Exact Mass
175.99080356
Charge
0
InChI
InChI=1S/C6H6Cl2N2/c1-3-4(7)2-5(8)6(9)10-3/h2H,1H3,(H2,9,10)
InChIKey
NQYNSMVHXHIGHZ-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c(nc1C)N
Isomeric Smiles
c1(c(cc(c(n1)C)Cl)Cl)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8489684
LogD (pH = 7.4)
1.8604165
Log P
1.8605645
Molar Refractivity
43.1161
Polarizability
16.166399
Polar Surface Area
38.91
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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