Molecule

ID:44755

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₄O₄
Molecular Mass
266.25326
Exact Mass
266.10150495
Charge
0
InChI
InChI=1S/C11H14N4O4/c12-13-11(16)9-7-8(1-2-10(9)15(17)18)14-3-5-19-6-4-14/h1-2,7H,3-6,12H2,(H,13,16)
InChIKey
ARFAVAPJERRSMQ-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cc(ccc1[N+](=O)[O-])N1CCOCC1
Isomeric Smiles
c1(c([N+](=O)[O-])ccc(c1)N1CCOCC1)C(=O)NN
Calculated Properties
JChem
Acid pKa
12.181961
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
0.35634357
LogD (pH = 7.4)
0.35692406
Log P
0.356938
Molar Refractivity
70.4483
Polarizability
25.050217
Polar Surface Area
113.41
Rotatable Bonds
3
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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