Molecule

ID:67835

General Information
Structure
MolImage
Molecular Formula
C₄H₃ClN₂O
Molecular Mass
130.53242
Exact Mass
129.99339041
Charge
0
InChI
InChI=1S/C4H3ClN2O/c5-3-1-6-2-7-4(3)8/h1-2H,(H,6,7,8)
InChIKey
JPSKJAPKTIXPSV-UHFFFAOYSA-N
Canonic Smiles
Clc1cncnc1O
Isomeric Smiles
c1nc(c(cn1)Cl)O
Calculated Properties
JChem
Acid pKa
10.499226
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.9446662
LogD (pH = 7.4)
0.944332
Log P
0.94467235
Molar Refractivity
29.8215
Polarizability
11.181042
Polar Surface Area
46.01
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
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Molecule Details
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References
Bioactivity
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