Molecule

ID:30722

General Information
Structure
Molecular Formula
C₁₀H₁₁N₃
Molecular Mass
173.21444
Exact Mass
173.09529737
Charge
0
InChI
InChI=1S/C10H11N3/c1-13-9(7-12-10(13)11)8-5-3-2-4-6-8/h2-7H,1H3,(H2,11,12)
InChIKey
JCXDQWPBUIEPRY-UHFFFAOYSA-N
Canonic Smiles
Cn1c(N)ncc1c1ccccc1
Isomeric Smiles
n1(c(cnc1N)c1ccccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.43007535
LogD (pH = 7.4)
0.6211919
Log P
1.5010024
Molar Refractivity
53.0969
Polarizability
21.023817
Polar Surface Area
43.84
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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