Molecule

ID:42429

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃
Molecular Mass
173.21444
Exact Mass
173.09529737
Charge
0
InChI
InChI=1S/C10H11N3/c11-10-4-2-9(3-5-10)8-13-7-1-6-12-13/h1-7H,8,11H2
InChIKey
ISRYTHBRUSOVAB-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)Cn1cccn1
Isomeric Smiles
n1(nccc1)Cc1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2573932
LogD (pH = 7.4)
1.2961359
Log P
1.296653
Molar Refractivity
64.2744
Polarizability
19.632097
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
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References
Bioactivity
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