Molecule

ID:134036

General Information
Structure
MolImage
Molecular Formula
C₅H₈ClN₃O
Molecular Mass
161.58952
Exact Mass
161.03558957
Charge
0
InChI
InChI=1S/C5H7N3O.ClH/c1-8-4(6)2-3-7-5(8)9;/h2-3,6H,1H3,(H,7,9);1H
InChIKey
ARDPGXGMNRXTPC-UHFFFAOYSA-N
Canonic Smiles
Cn1c(=N)cc[nH]c1=O.Cl
Isomeric Smiles
Cn1c(=N)cc[nH]c1=O.Cl
Calculated Properties
JChem
Acid pKa
10.986318
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.3231669
LogD (pH = 7.4)
-0.258089
Log P
-0.25708675
Molar Refractivity
43.338
Polarizability
12.08672
Polar Surface Area
56.19
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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