Molecule

ID:74226

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁N₃O₄
Molecular Mass
249.22274
Exact Mass
249.07495585
Charge
0
InChI
InChI=1S/C11H11N3O4/c15-12-9-4-3-8(14(17)18)7-10(9)13(16)11(12)5-1-2-6-11/h3-4,7H,1-2,5-6H2
InChIKey
LCFCUDVZEQEHDG-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc2=[N+](C3([N+](=c2c1)[O-])CCCC3)[O-]
Isomeric Smiles
[N+]1(=c2cc(ccc2=[N+](C21CCCC2)[O-])[N+](=O)[O-])[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.7308059
LogD (pH = 7.4)
1.7308059
Log P
1.7308059
Molar Refractivity
68.0594
Polarizability
22.804499
Polar Surface Area
103.32
Rotatable Bonds
1
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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