Molecule

ID:73500

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁N₃
Molecular Mass
149.19304
Exact Mass
149.09529737
Charge
0
InChI
InChI=1S/C8H11N3/c9-7-2-1-5-10-8(7)11-6-3-4-6/h1-2,5-6H,3-4,9H2,(H,10,11)
InChIKey
QHUFORDTLJHGBU-UHFFFAOYSA-N
Canonic Smiles
Nc1cccnc1NC1CC1
Isomeric Smiles
n1c(c(ccc1)N)NC1CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.8197312
LogD (pH = 7.4)
0.26655737
Log P
0.45944762
Molar Refractivity
46.32
Polarizability
16.503668
Polar Surface Area
50.94
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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