Molecule

ID:61893

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃
Molecular Mass
173.21444
Exact Mass
173.09529737
Charge
0
InChI
InChI=1S/C10H11N3/c1-2-9-8-13(12-11-9)10-6-4-3-5-7-10/h3-8H,2H2,1H3
InChIKey
JIHFLRWZBPPLLH-UHFFFAOYSA-N
Canonic Smiles
CCc1nnn(c1)c1ccccc1
Isomeric Smiles
n1n(cc(n1)CC)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5100915
LogD (pH = 7.4)
2.5100944
Log P
2.5100944
Molar Refractivity
51.9951
Polarizability
20.146805
Polar Surface Area
30.71
Rotatable Bonds
2
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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