Molecule

ID:34008

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀Cl₂N₂
Molecular Mass
205.0844
Exact Mass
204.02210369
Charge
0
InChI
InChI=1S/C8H9ClN2.ClH/c9-7-3-1-2-6(4-7)5-8(10)11;/h1-4H,5H2,(H3,10,11);1H
InChIKey
SSKYLHULHCUDLD-UHFFFAOYSA-N
Canonic Smiles
NC(=N)Cc1cccc(c1)Cl.Cl
Isomeric Smiles
C(=N)(Cc1cc(Cl)ccc1)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.9375141
LogD (pH = 7.4)
-0.93592525
Log P
1.4779243
Molar Refractivity
56.5867
Polarizability
17.733217
Polar Surface Area
49.87
Rotatable Bonds
2
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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