Molecule

ID:79926

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃ClN₄O₂
Molecular Mass
220.65672
Exact Mass
220.07270336
Charge
0
InChI
InChI=1S/C7H12N4O2.ClH/c1-3-13-7(12)5-4(2)10-11-6(5)9-8;/h3,8H2,1-2H3,(H2,9,10,11);1H
InChIKey
MIVXLCHQGQNODO-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(NN)[nH]nc1C.Cl
Isomeric Smiles
n1c(c(c([nH]1)NN)C(=O)OCC)C.Cl
Calculated Properties
JChem
Acid pKa
11.035724
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.85134757
LogD (pH = 7.4)
0.899274
Log P
0.9000185
Molar Refractivity
50.0708
Polarizability
17.804739
Polar Surface Area
93.03
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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