Molecule

ID:12558

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃
Molecular Mass
173.21444
Exact Mass
173.09529737
Charge
0
InChI
InChI=1S/C10H11N3/c1-8-7-10(11)13(12-8)9-5-3-2-4-6-9/h2-7H,11H2,1H3
InChIKey
FMKMKBLHMONXJM-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c(c1)N)c1ccccc1
Isomeric Smiles
c1c(nn(c1N)c1ccccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4389985
LogD (pH = 7.4)
1.450649
Log P
1.4507996
Molar Refractivity
52.9649
Polarizability
20.319653
Polar Surface Area
43.84
Rotatable Bonds
1
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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