Molecule

ID:33497

General Information
Structure
MolImage
Molecular Formula
C₃H₃ClN₂O
Molecular Mass
118.52172
Exact Mass
117.99339041
Charge
0
InChI
InChI=1S/C3H3ClN2O/c4-1-3-5-2-7-6-3/h2H,1H2
InChIKey
YSNKGJCEHOJIDK-UHFFFAOYSA-N
Canonic Smiles
ClCc1nocn1
Isomeric Smiles
n1c(noc1)CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.8529539
LogD (pH = 7.4)
0.8529539
Log P
0.8529539
Molar Refractivity
26.0517
Polarizability
9.309992
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
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Molecule Details
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References
Bioactivity
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