Molecule

ID:41684

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₄O₂
Molecular Mass
222.24376
Exact Mass
222.11167571
Charge
0
InChI
InChI=1S/C10H14N4O2/c1-12-4-6-13(7-5-12)10-3-2-9(8-11-10)14(15)16/h2-3,8H,4-7H2,1H3
InChIKey
DZIASOMGGPNYCU-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)c1ccc(cn1)[N+](=O)[O-]
Isomeric Smiles
c1(cnc(cc1)N1CCN(CC1)C)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
-0.50084907
LogD (pH = 7.4)
1.0145128
Log P
1.2451786
Molar Refractivity
61.0138
Polarizability
22.470297
Polar Surface Area
62.51
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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