Molecule

ID:33222

General Information
Structure
MolImage
Molecular Formula
C₄H₅ClN₂O
Molecular Mass
132.5483
Exact Mass
132.00904047
Charge
0
InChI
InChI=1S/C4H5ClN2O/c1-3-6-7-4(2-5)8-3/h2H2,1H3
InChIKey
KJLQSWULHSLSOM-UHFFFAOYSA-N
Canonic Smiles
Cc1nnc(o1)CCl
Isomeric Smiles
n1nc(oc1CCl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.26184124
LogD (pH = 7.4)
-0.26184118
Log P
-0.26184118
Molar Refractivity
30.6182
Polarizability
11.034428
Polar Surface Area
38.92
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
No Data Available
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Molecule Details
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References
Bioactivity
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