Molecule

ID:73658

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇N₃O
Molecular Mass
185.18208
Exact Mass
185.05891186
Charge
0
InChI
InChI=1S/C10H7N3O/c1-4-10-12-8(7-13(10)11-5-1)9-3-2-6-14-9/h1-7H
InChIKey
ZOWMZLMKRQUFCY-UHFFFAOYSA-N
Canonic Smiles
c1coc(c1)c1nc2n(c1)nccc2
Isomeric Smiles
o1cccc1c1cn2ncccc2n1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7365841
LogD (pH = 7.4)
1.7461712
Log P
1.746295
Molar Refractivity
60.9287
Polarizability
20.216814
Polar Surface Area
43.33
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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