Molecule

ID:13963

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁N₃O₃
Molecular Mass
173.16984
Exact Mass
173.08004123
Charge
0
InChI
InChI=1S/C6H11N3O3/c1-9-5(7)8-4(12)6(9,2-10)3-11/h10-11H,2-3H2,1H3,(H2,7,8,12)
InChIKey
WBOQNIALPPCYTH-UHFFFAOYSA-N
Canonic Smiles
OCC1(CO)C(=O)N=C(N1C)N
Isomeric Smiles
C1(N(C(=NC1=O)N)C)(CO)CO
Calculated Properties
JChem
Acid pKa
14.15673
H Acceptors
6
H Donor
3
LogD (pH = 5.5)
-2.5520413
LogD (pH = 7.4)
-2.5517137
Log P
-2.5517094
Molar Refractivity
40.6146
Polarizability
15.537444
Polar Surface Area
99.15
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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