Molecule

ID:30507

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀ClN₃O₂
Molecular Mass
191.6155
Exact Mass
191.04615426
Charge
0
InChI
InChI=1S/C6H9N3O2.ClH/c1-6(2,5(10)11)9-4-7-3-8-9;/h3-4H,1-2H3,(H,10,11);1H
InChIKey
UDRIUYPQDJSXML-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(n1ncnc1)(C)C.Cl
Isomeric Smiles
C(n1ncnc1)(C(=O)O)(C)C.Cl
Calculated Properties
JChem
Acid pKa
3.3838627
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.994375
LogD (pH = 7.4)
-3.2331243
Log P
-0.07343253
Molar Refractivity
49.4273
Polarizability
14.243782
Polar Surface Area
68.01
Rotatable Bonds
2
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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