Molecule

ID:1245

General Information
Structure
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Molecular Formula
C₁₁H₁₁N₅
Molecular Mass
213.23854
Exact Mass
213.10144538
Charge
0
InChI
InChI=1S/C11H11N5/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8/h1-7H,(H4,12,13,14)/b16-15+
InChIKey
QPFYXYFORQJZEC-FOCLMDBBSA-N
Canonic Smiles
Nc1ccc(c(n1)N)/N=N/c1ccccc1
Isomeric Smiles
n1c(N)c(/N=N/c2ccccc2)ccc1N
Calculated Properties
JChem
LogD (pH = 7.4)
2.67
LogD (pH = 5.5)
2.04
Log P
2.69
Rotatable Bonds
2
H Donor
2
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
6.06
Polar Surface Area
89.65
Polarizability
22.65
Molar Refractivity
68.25
LOG S
-3.12
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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CAS 94-78-0|3-[(E)-2-phenyldiazen-1-yl]pyridine-2,6-diamine|PDP|Urogesic|Baridium|Phenazopyridine|Uristat|Sedural|Pyridacil|Pyridiate|Suladyne|PAP|Prodium|Viridium|Phenylazo|Phenazodine|Pyrazodine|p... | Molfinder