Molecule

ID:22073

General Information
Structure
Molecular Formula
C₁₀H₁₄N₄O₂
Molecular Mass
222.24376
Exact Mass
222.11167571
Charge
0
InChI
InChI=1S/C10H14N4O2/c15-14(16)9-2-3-10(12-8-9)13-6-1-4-11-5-7-13/h2-3,8,11H,1,4-7H2
InChIKey
HVIKXFXKZFWDTQ-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(nc1)N1CCNCCC1
Isomeric Smiles
c1(cnc(cc1)N1CCNCCC1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-2.2570114
LogD (pH = 7.4)
-1.1961439
Log P
0.92209035
Molar Refractivity
61.5887
Polarizability
22.470335
Polar Surface Area
73.98
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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