Molecule

ID:13360

General Information
Structure
Molecular Formula
C₈H₁₃N₃
Molecular Mass
151.20892
Exact Mass
151.11094743
Charge
0
InChI
InChI=1S/C8H13N3/c9-8-5-6-10-11(8)7-3-1-2-4-7/h5-7H,1-4,9H2
InChIKey
AFGOKLFLQUOZEQ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccnn1C1CCCC1
Isomeric Smiles
c1cnn(c1N)C1CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.012676
LogD (pH = 7.4)
1.0161285
Log P
1.0161728
Molar Refractivity
55.3283
Polarizability
16.667545
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
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Molecule Details
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References
Bioactivity
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