Molecule

ID:35091

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃
Molecular Mass
173.21444
Exact Mass
173.09529737
Charge
0
InChI
InChI=1S/C10H11N3/c1-13-10(11)7-9(12-13)8-5-3-2-4-6-8/h2-7H,11H2,1H3
InChIKey
KCYRMURRLLYLPU-UHFFFAOYSA-N
Canonic Smiles
Cn1nc(cc1N)c1ccccc1
Isomeric Smiles
n1n(c(cc1c1ccccc1)N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6909811
LogD (pH = 7.4)
1.6945015
Log P
1.6945466
Molar Refractivity
63.6793
Polarizability
21.02434
Polar Surface Area
43.84
Rotatable Bonds
1
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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