Molecule
ID:121257
General Information
Molecular Formula
C₉H₁₀Cl₂N₂O
Molecular Mass
233.0945
Exact Mass
232.01701831
Charge
0
InChI
InChI=1S/C9H9ClN2O.ClH/c1-12-7-3-2-5(10)4-6(7)8(11)9(12)13;/h2-4,8H,11H2,1H3;1H
InChIKey
HKPHFWSXMLTAHB-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)C(N)C(=O)N2C.Cl
Isomeric Smiles
N1(C(=O)C(c2c1ccc(c2)Cl)N)C.Cl
Calculated Properties
JChem
Acid pKa
14.107923
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.147392
LogD (pH = 7.4)
0.42238843
Log P
0.7181207
Molar Refractivity
50.5013
Polarizability
19.720406
Polar Surface Area
46.33
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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