Molecule
ID:125007
General Information
Molecular Formula
C₅H₅ClN₂O
Molecular Mass
144.559
Exact Mass
144.00904047
Charge
0
InChI
InChI=1S/C5H5ClN2O/c1-8-5(9)3-2-4(6)7-8/h2-3H,1H3
InChIKey
IMBNTYIRTCQBRJ-UHFFFAOYSA-N
Canonic Smiles
Cn1nc(Cl)ccc1=O
Isomeric Smiles
n1n(c(=O)ccc1Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.36264923
LogD (pH = 7.4)
0.36264923
Log P
0.36264923
Molar Refractivity
35.6415
Polarizability
12.850097
Polar Surface Area
32.67
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
No Data Available
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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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