Molecule

ID:68426

General Information
Structure
MolImage
Molecular Formula
C₅H₅ClN₂O
Molecular Mass
144.559
Exact Mass
144.00904047
Charge
0
InChI
InChI=1S/C5H5ClN2O/c6-3-1-4(9)5(7)8-2-3/h1-2,9H,(H2,7,8)
InChIKey
BMRXXBXPVJOAMM-UHFFFAOYSA-N
Canonic Smiles
Clc1cnc(c(c1)O)N
Isomeric Smiles
c1(c(cc(cn1)Cl)O)N
Calculated Properties
JChem
Acid pKa
8.816226
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.7179083
LogD (pH = 7.4)
0.8040277
Log P
0.82158434
Molar Refractivity
35.7007
Polarizability
13.127044
Polar Surface Area
59.14
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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