Molecule

ID:30506

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀Cl₂N₂O
Molecular Mass
221.0838
Exact Mass
220.01701831
Charge
0
InChI
InChI=1S/C8H9ClN2O.ClH/c9-6-3-1-2-4-7(6)12-5-8(10)11;/h1-4H,5H2,(H3,10,11);1H
InChIKey
WPWKAEFYVGWTAE-UHFFFAOYSA-N
Canonic Smiles
NC(=N)COc1ccccc1Cl.Cl
Isomeric Smiles
C(=N)(COc1c(Cl)cccc1)N.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.2473794
LogD (pH = 7.4)
-0.8759877
Log P
1.1604881
Molar Refractivity
57.8269
Polarizability
18.455538
Polar Surface Area
59.1
Rotatable Bonds
3
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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