Molecule

ID:78021

General Information
Structure
MolImage
Molecular Formula
C₅H₇ClN₂O
Molecular Mass
146.57488
Exact Mass
146.02469053
Charge
0
InChI
InChI=1S/C5H6N2O.ClH/c6-5-2-1-4(8)3-7-5;/h1-3,8H,(H2,6,7);1H
InChIKey
VFVKEBQUEFKSMO-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cn1)O.Cl
Isomeric Smiles
n1c(ccc(c1)O)N.Cl
Calculated Properties
JChem
Acid pKa
10.167422
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.7678203
LogD (pH = 7.4)
0.1548961
Log P
0.21753964
Molar Refractivity
30.8959
Polarizability
11.185558
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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