Molecule

ID:43293

General Information
Structure
Molecular Formula
C₁₁H₈N₆O₂
Molecular Mass
256.22022
Exact Mass
256.07087353
Charge
0
InChI
InChI=1S/C11H8N6O2/c12-10-9-5-15-16(11(9)14-6-13-10)7-1-3-8(4-2-7)17(18)19/h1-6H,(H2,12,13,14)
InChIKey
NFVAFEQWWNNKLX-UHFFFAOYSA-N
Canonic Smiles
Nc1ncnc2c1cnn2c1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
n1cnc(c2c1n(nc2)c1ccc(cc1)[N+](=O)[O-])N
Calculated Properties
JChem
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
0.23859903
LogD (pH = 7.4)
1.1777678
Log P
1.2274097
Molar Refractivity
69.7029
Polarizability
25.48456
Polar Surface Area
115.44
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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