Molecule

ID:42634

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₄O₂
Molecular Mass
222.24376
Exact Mass
222.11167571
Charge
0
InChI
InChI=1S/C10H14N4O2/c1-12-5-7-13(8-6-12)10-9(14(15)16)3-2-4-11-10/h2-4H,5-8H2,1H3
InChIKey
IRXHDQDKDQULCJ-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)c1ncccc1[N+](=O)[O-]
Isomeric Smiles
c1cnc(c(c1)[N+](=O)[O-])N1CCN(CC1)C
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
-0.22462139
LogD (pH = 7.4)
1.1110139
Log P
1.2451786
Molar Refractivity
62.018
Polarizability
22.472786
Polar Surface Area
65.19
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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