Molecule

ID:33494

General Information
Structure
MolImage
Molecular Formula
C₅H₇ClN₂O₂
Molecular Mass
162.57428
Exact Mass
162.01960515
Charge
0
InChI
InChI=1S/C5H7ClN2O2/c1-9-3-4-7-5(2-6)10-8-4/h2-3H2,1H3
InChIKey
VLXVPDOWMACDNZ-UHFFFAOYSA-N
Canonic Smiles
COCc1noc(n1)CCl
Isomeric Smiles
n1c(noc1CCl)COC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.8612504
LogD (pH = 7.4)
0.8612504
Log P
0.8612504
Molar Refractivity
36.9458
Polarizability
13.680926
Polar Surface Area
48.15
Rotatable Bonds
3
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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