Molecule

ID:30820

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃
Molecular Mass
173.21444
Exact Mass
173.09529737
Charge
0
InChI
InChI=1S/C10H11N3/c11-10-3-1-2-9(6-10)7-13-5-4-12-8-13/h1-6,8H,7,11H2
InChIKey
HOZXQBSHRUITCX-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)Cn1cncc1
Isomeric Smiles
n1cn(cc1)Cc1cc(N)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.4179831
LogD (pH = 7.4)
0.91007334
Log P
0.973999
Molar Refractivity
53.2225
Polarizability
19.640154
Polar Surface Area
43.84
Rotatable Bonds
2
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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