Molecule

ID:135434

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁N₅O₃
Molecular Mass
189.17254
Exact Mass
189.08618924
Charge
0
InChI
InChI=1S/C5H11N5O3/c1-2-3-4-9(8-11)5(6)7-10(12)13/h2-4H2,1H3,(H2,6,7)
InChIKey
FJNCPBNCTRDXFB-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)NC(=N)N(N=O)CCCC
Isomeric Smiles
CCCCN(C(=N)N[N+](=O)[O-])N=O
Calculated Properties
JChem
Acid pKa
8.96538
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
1.2784891
LogD (pH = 7.4)
1.2686795
Log P
1.2789955
Molar Refractivity
56.8504
Polarizability
16.0801
Polar Surface Area
114.37
Rotatable Bonds
5
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
No Data Available
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Molecule Details
References
Bioactivity
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