Molecule

ID:72186

General Information
Structure
MolImage
Molecular Formula
C₃H₃ClN₂O
Molecular Mass
118.52172
Exact Mass
117.99339041
Charge
0
InChI
InChI=1S/C3H3ClN2O/c1-2-5-3(4)6-7-2/h1H3
InChIKey
UBCHWZCUZUNNHK-UHFFFAOYSA-N
Canonic Smiles
Clc1noc(n1)C
Isomeric Smiles
n1c(noc1C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.68288666
LogD (pH = 7.4)
0.68288666
Log P
0.68288666
Molar Refractivity
26.6134
Polarizability
9.419946
Polar Surface Area
38.92
Rotatable Bonds
0
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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