Molecule

ID:76000

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃
Molecular Mass
173.21444
Exact Mass
173.09529737
Charge
0
InChI
InChI=1S/C10H11N3/c1-13-10(5-6-12-13)8-3-2-4-9(11)7-8/h2-7H,11H2,1H3
InChIKey
KEYWGUASUNFUCS-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)c1ccnn1C
Isomeric Smiles
n1ccc(n1C)c1cccc(c1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1276057
LogD (pH = 7.4)
1.1392559
Log P
1.1394064
Molar Refractivity
64.6755
Polarizability
21.023252
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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