Molecule

ID:54227

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃
Molecular Mass
173.21444
Exact Mass
173.09529737
Charge
0
InChI
InChI=1S/C10H11N3/c1-13-7-6-10(12-13)8-2-4-9(11)5-3-8/h2-7H,11H2,1H3
InChIKey
WEFJHPBVOKVCLZ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)c1ccn(n1)C
Isomeric Smiles
n1c(ccn1C)c1ccc(cc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6005765
LogD (pH = 7.4)
1.6051964
Log P
1.6052556
Molar Refractivity
64.426
Polarizability
21.02569
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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