Molecule

ID:33159

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀Cl₂N₂O
Molecular Mass
233.0945
Exact Mass
232.01701831
Charge
0
InChI
InChI=1S/C9H9ClN2O.ClH/c1-5-2-8-7(3-6(5)10)12-9(4-11)13-8;/h2-3H,4,11H2,1H3;1H
InChIKey
MOYJWBXVVCQFNI-UHFFFAOYSA-N
Canonic Smiles
NCc1oc2c(n1)cc(c(c2)C)Cl.Cl
Isomeric Smiles
n1c2c(oc1CN)cc(c(c2)Cl)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.13767667
LogD (pH = 7.4)
1.3865656
Log P
1.6362664
Molar Refractivity
50.3695
Polarizability
20.819035
Polar Surface Area
52.05
Rotatable Bonds
1
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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