Molecule

ID:65766

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃O
Molecular Mass
189.21384
Exact Mass
189.09021199
Charge
0
InChI
InChI=1S/C10H11N3O/c11-9-6-10(13-12-9)14-7-8-4-2-1-3-5-8/h1-6H,7H2,(H3,11,12,13)
InChIKey
DPMPAHAAODHNKV-UHFFFAOYSA-N
Canonic Smiles
Nc1n[nH]c(c1)OCc1ccccc1
Isomeric Smiles
[nH]1nc(cc1OCc1ccccc1)N
Calculated Properties
JChem
Acid pKa
13.285553
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.6880656
LogD (pH = 7.4)
1.6989136
Log P
1.6990542
Molar Refractivity
55.0884
Polarizability
20.373669
Polar Surface Area
63.93
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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