Molecule

ID:88002

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N₃
Molecular Mass
175.23032
Exact Mass
175.11094743
Charge
0
InChI
InChI=1S/C10H13N3/c1-11-7-9-8-5-3-4-6-10(8)13(2)12-9/h3-6,11H,7H2,1-2H3
InChIKey
XDQYKASLVAVERE-UHFFFAOYSA-N
Canonic Smiles
CNCc1nn(c2c1cccc2)C
Isomeric Smiles
n1c(c2c(cccc2)n1C)CNC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8363134
LogD (pH = 7.4)
-0.21510842
Log P
1.0598044
Molar Refractivity
64.0149
Polarizability
21.664413
Polar Surface Area
29.85
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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