Molecule

ID:123223

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃O
Molecular Mass
189.21384
Exact Mass
189.09021199
Charge
0
InChI
InChI=1S/C10H11N3O/c1-7(11)10-12-9(13-14-10)8-5-3-2-4-6-8/h2-7H,11H2,1H3
InChIKey
DTIGPHKXQOPZJJ-UHFFFAOYSA-N
Canonic Smiles
CC(c1onc(n1)c1ccccc1)N
Isomeric Smiles
n1c(onc1c1ccccc1)C(N)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.14026374
LogD (pH = 7.4)
1.6984153
Log P
1.9719819
Molar Refractivity
64.3795
Polarizability
20.92021
Polar Surface Area
64.94
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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