Molecule
ID:37143
General Information
Molecular Formula
C₆H₇ClN₂O
Molecular Mass
158.58558
Exact Mass
158.02469053
Charge
0
InChI
InChI=1S/C6H7ClN2O/c1-2-10-6-4-3-5(7)8-9-6/h3-4H,2H2,1H3
InChIKey
FFEBQGWXQGASGB-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(nn1)Cl
Isomeric Smiles
n1nc(ccc1Cl)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3936194
LogD (pH = 7.4)
1.3936195
Log P
1.3936195
Molar Refractivity
41.1558
Polarizability
14.91147
Polar Surface Area
35.01
Rotatable Bonds
2
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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