Molecule

ID:63275

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁N₃
Molecular Mass
161.20374
Exact Mass
161.09529737
Charge
0
InChI
InChI=1S/C9H11N3/c1-6-8-4-3-7(10)5-9(8)11-12(6)2/h3-5H,10H2,1-2H3
InChIKey
PVNVSSNARYHLRF-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)nn(c2C)C
Isomeric Smiles
c12c(nn(c1C)C)cc(cc2)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1447355
LogD (pH = 7.4)
1.1470389
Log P
1.1470684
Molar Refractivity
60.8897
Polarizability
19.330175
Polar Surface Area
43.84
Rotatable Bonds
0
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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