Molecule

ID:33329

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀Cl₂N₂O
Molecular Mass
233.0945
Exact Mass
232.01701831
Charge
0
InChI
InChI=1S/C9H9ClN2O.ClH/c10-6-1-2-8-7(5-6)12-9(13-8)3-4-11;/h1-2,5H,3-4,11H2;1H
InChIKey
SOXUVEQJYSXLDZ-UHFFFAOYSA-N
Canonic Smiles
NCCc1nc2c(o1)ccc(c2)Cl.Cl
Isomeric Smiles
n1c(oc2c1cc(cc2)Cl)CCN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6010741
LogD (pH = 7.4)
-0.49206638
Log P
1.3598577
Molar Refractivity
50.0277
Polarizability
20.820122
Polar Surface Area
52.05
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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