Molecule

ID:72017

General Information
Structure
MolImage
Molecular Formula
C₆H₉N₃O₂
Molecular Mass
155.15456
Exact Mass
155.06947654
Charge
0
InChI
InChI=1S/C6H9N3O2/c1-3-8-5(2)4-6(7-8)9(10)11/h4H,3H2,1-2H3
InChIKey
RGIIPEUVPVNVHB-UHFFFAOYSA-N
Canonic Smiles
CCn1nc(cc1C)[N+](=O)[O-]
Isomeric Smiles
n1(c(cc(n1)[N+](=O)[O-])C)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.4919169
LogD (pH = 7.4)
1.4919169
Log P
1.4919169
Molar Refractivity
52.4979
Polarizability
14.473413
Polar Surface Area
63.64
Rotatable Bonds
2
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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