Molecule

ID:105427

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₄O₅
Molecular Mass
218.1674
Exact Mass
218.06511944
Charge
0
InChI
InChI=1S/C6H10N4O5/c11-1-7-6(15)10(2-12)3-4(13)9-5(14)8-3/h3,11-12H,1-2H2,(H,7,15)(H2,8,9,13,14)
InChIKey
NWTJKPIGLNSSTB-UHFFFAOYSA-N
Canonic Smiles
OCN(C(=O)NCO)C1NC(=O)NC1=O
Isomeric Smiles
OCNC(=O)N(CO)C1NC(=O)NC1=O
Calculated Properties
JChem
Acid pKa
8.925575
H Acceptors
5
H Donor
5
LogD (pH = 5.5)
-3.2082138
LogD (pH = 7.4)
-4.4307437
Log P
-3.073191
Molar Refractivity
44.0195
Polarizability
17.50202
Polar Surface Area
131.0
Rotatable Bonds
3
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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