Molecule

ID:34224

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂N₄O₃
Molecular Mass
272.25938
Exact Mass
272.09094026
Charge
0
InChI
InChI=1S/C13H12N4O3/c14-13(18)11-6-10(17(19)20)3-4-12(11)16-8-9-2-1-5-15-7-9/h1-7,16H,8H2,(H2,14,18)
InChIKey
YGOUPMYBESSSAI-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1cc(ccc1NCc1cccnc1)[N+](=O)[O-]
Isomeric Smiles
c1(cc(ccc1NCc1cccnc1)[N+](=O)[O-])C(=O)N
Calculated Properties
JChem
Acid pKa
12.598679
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.3208197
LogD (pH = 7.4)
1.3924341
Log P
1.3934491
Molar Refractivity
75.1106
Polarizability
26.747246
Polar Surface Area
113.83
Rotatable Bonds
5
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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