Molecule

ID:74207

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃O
Molecular Mass
189.21384
Exact Mass
189.09021199
Charge
0
InChI
InChI=1S/C10H11N3O/c11-7-9-1-2-10(12-8-9)13-3-5-14-6-4-13/h1-2,8H,3-6H2
InChIKey
MWMUIALBOFAVDT-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(nc1)N1CCOCC1
Isomeric Smiles
n1cc(ccc1N1CCOCC1)C#N
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.0952506
LogD (pH = 7.4)
1.0956652
Log P
1.0956705
Molar Refractivity
53.4393
Polarizability
19.738274
Polar Surface Area
49.15
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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