Molecule

ID:63429

General Information
Structure
MolImage
Molecular Formula
C₄H₃ClN₂O
Molecular Mass
130.53242
Exact Mass
129.99339041
Charge
0
InChI
InChI=1S/C4H3ClN2O/c5-4-6-1-3(8)2-7-4/h1-2,8H
InChIKey
BOGPIHXNWPTGNH-UHFFFAOYSA-N
Canonic Smiles
Oc1cnc(nc1)Cl
Isomeric Smiles
c1nc(Cl)ncc1O
Calculated Properties
JChem
Acid pKa
7.6554437
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.6517618
LogD (pH = 7.4)
0.46819207
Log P
0.6547205
Molar Refractivity
30.2018
Polarizability
11.247516
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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