Molecule

ID:127311

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₄O₄
Molecular Mass
214.1787
Exact Mass
214.07020482
Charge
0
InChI
InChI=1S/C7H10N4O4/c12-4-2-8-6(13)5-10-3-1-9-7(10)11(14)15/h1,3,12H,2,4-5H2,(H,8,13)
InChIKey
WCDWBPCFGJXFJZ-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1nccn1CC(=O)NCCO
Isomeric Smiles
O=[N+]([O-])c1nccn1CC(=O)NCCO
Calculated Properties
JChem
LogD (pH = 7.4)
-1.09
LogD (pH = 5.5)
-1.09
Log P
-1.09
Rotatable Bonds
5
H Donor
2
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
14.28
Polar Surface Area
110.29
Polarizability
19.08
Molar Refractivity
48.80
LOG S
-1.02
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
References
Bioactivity
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