Molecule

ID:55728

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁ClN₄O₂
Molecular Mass
206.63014
Exact Mass
206.05705329
Charge
0
InChI
InChI=1S/C6H10N4O2.ClH/c1-12-5(11)3-2-4-8-6(7)10-9-4;/h2-3H2,1H3,(H3,7,8,9,10);1H
InChIKey
FUPWBCLISZIHLC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCc1nc(n[nH]1)N.Cl
Isomeric Smiles
n1c(n[nH]c1CCC(=O)OC)N.Cl
Calculated Properties
JChem
Acid pKa
12.732702
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.46556562
LogD (pH = 7.4)
-0.46541217
Log P
-0.46540824
Molar Refractivity
43.669
Polarizability
15.64206
Polar Surface Area
93.89
Rotatable Bonds
4
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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