Molecule

ID:101797

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₃IN₄
Molecular Mass
338.23159
Exact Mass
338.09674476
Charge
0
InChI
InChI=1S/C11H22N4.HI/c12-11(13)15-8-6-14(7-9-15)10-4-2-1-3-5-10;/h10H,1-9H2,(H3,12,13);1H
InChIKey
PYPAGNOKJZMBJS-UHFFFAOYSA-N
Canonic Smiles
NC(=N)N1CCN(CC1)C1CCCCC1.I
Isomeric Smiles
C(=N)(N1CCN(CC1)C1CCCCC1)N.I
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.8069181
LogD (pH = 7.4)
-2.06051
Log P
0.94913656
Molar Refractivity
72.9924
Polarizability
24.056778
Polar Surface Area
56.35
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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