Molecule

ID:34187

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₄O
Molecular Mass
214.2233
Exact Mass
214.08546096
Charge
0
InChI
InChI=1S/C11H10N4O/c1-7-6-10(16)15(14-7)11-12-8-4-2-3-5-9(8)13-11/h2-6,16H,1H3,(H,12,13)
InChIKey
OUQGOPKPXOVKDA-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c(c1)O)c1nc2c([nH]1)cccc2
Isomeric Smiles
n1n(c(cc1C)O)c1[nH]c2c(n1)cccc2
Calculated Properties
JChem
Acid pKa
6.415683
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.8598789
LogD (pH = 7.4)
0.9821828
Log P
1.8134773
Molar Refractivity
58.6292
Polarizability
23.409538
Polar Surface Area
66.73
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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