Molecule

ID:58850

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N₃O₂
Molecular Mass
207.22912
Exact Mass
207.10077667
Charge
0
InChI
InChI=1S/C10H13N3O2/c14-13(15)10-4-2-1-3-9(10)12-7-5-11-6-8-12/h1-4,11H,5-8H2
InChIKey
YJRCDSXLKPERNV-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccccc1N1CCNCC1
Isomeric Smiles
N1(CCNCC1)c1c(cccc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.4612156
LogD (pH = 7.4)
0.11931055
Log P
1.4853455
Molar Refractivity
57.5625
Polarizability
21.503956
Polar Surface Area
58.41
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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