Molecule

ID:18114

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃
Molecular Mass
173.21444
Exact Mass
173.09529737
Charge
0
InChI
InChI=1S/C10H11N3/c11-10-4-1-3-9(7-10)8-13-6-2-5-12-13/h1-7H,8,11H2
InChIKey
JGTYTUGTENJXBY-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)Cn1cccn1
Isomeric Smiles
c1cc(cc(c1)N)Cn1cccn1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2741086
LogD (pH = 7.4)
1.2963618
Log P
1.296653
Molar Refractivity
64.2744
Polarizability
19.632896
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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