Molecule

ID:123521

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClN₂O
Molecular Mass
208.64426
Exact Mass
208.0403406
Charge
0
InChI
InChI=1S/C10H9ClN2O/c1-6-4-3-5-13-9(6)12-7(2)8(11)10(13)14/h3-5H,1-2H3
InChIKey
GLYSIAYFGQRKCK-UHFFFAOYSA-N
Canonic Smiles
Cc1nc2c(C)cccn2c(=O)c1Cl
Isomeric Smiles
n12c(nc(c(c1=O)Cl)C)c(ccc2)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.796475
LogD (pH = 7.4)
1.7964752
Log P
1.7964752
Molar Refractivity
57.8966
Polarizability
20.76808
Polar Surface Area
32.67
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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