Molecule

ID:64422

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃
Molecular Mass
173.21444
Exact Mass
173.09529737
Charge
0
InChI
InChI=1S/C10H11N3/c11-8-9-3-1-4-10(7-9)13-6-2-5-12-13/h1-7H,8,11H2
InChIKey
YWZKZHCZKIKAAC-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc(c1)n1cccn1
Isomeric Smiles
n1(nccc1)c1cc(CN)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.804896
LogD (pH = 7.4)
-0.880158
Log P
1.1848328
Molar Refractivity
52.8931
Polarizability
20.806452
Polar Surface Area
43.84
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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