Molecule

ID:76874

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀Cl₂N₂
Molecular Mass
229.1058
Exact Mass
228.02210369
Charge
0
InChI
InChI=1S/C10H9N2.2ClH/c1-2-8-12(9-3-1)10-4-6-11-7-5-10;;/h1-9H;2*1H/q+1;;/p-1
InChIKey
QZOFFMRDIRXGKJ-UHFFFAOYSA-M
Canonic Smiles
c1cc[n+](cc1)c1ccncc1.Cl.[Cl-]
Isomeric Smiles
[n+]1(ccccc1)c1ccncc1.[Cl-].Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-1.365769
LogD (pH = 7.4)
-1.3657689
Log P
-1.3657689
Molar Refractivity
57.9965
Polarizability
19.064577
Polar Surface Area
16.77
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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