Molecule

ID:28494

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₄O₂
Molecular Mass
222.24376
Exact Mass
222.11167571
Charge
0
InChI
InChI=1S/C10H14N4O2/c11-8-3-6-13(7-4-8)10-9(14(15)16)2-1-5-12-10/h1-2,5,8H,3-4,6-7,11H2
InChIKey
LNUXRHMWVBPLJW-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)c1ncccc1[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1c(N2CCC(CC2)N)nccc1)[O-]
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-2.4107833
LogD (pH = 7.4)
-1.8760176
Log P
0.6092368
Molar Refractivity
61.3497
Polarizability
22.472862
Polar Surface Area
87.97
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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