Molecule

ID:30438

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃
Molecular Mass
173.21444
Exact Mass
173.09529737
Charge
0
InChI
InChI=1S/C10H11N3/c1-8-12-6-7-13(8)10-5-3-2-4-9(10)11/h2-7H,11H2,1H3
InChIKey
LLSZMUSXQITSSJ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1n1ccnc1C
Isomeric Smiles
n1(c(ncc1)C)c1c(N)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.37935787
LogD (pH = 7.4)
0.62314135
Log P
0.7605
Molar Refractivity
63.1475
Polarizability
20.336134
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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