Molecule

ID:13580

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₉N₃
Molecular Mass
227.38946
Exact Mass
227.23614794
Charge
0
InChI
InChI=1S/C13H29N3/c1-4-16(5-2)10-6-9-14-13-7-11-15(3)12-8-13/h13-14H,4-12H2,1-3H3
InChIKey
ZPGIBQNQYWZCOF-UHFFFAOYSA-N
Canonic Smiles
CCN(CCCNC1CCN(CC1)C)CC
Isomeric Smiles
C1N(CCC(C1)NCCCN(CC)CC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-7.4461656
LogD (pH = 7.4)
-4.121025
Log P
0.6261478
Molar Refractivity
72.5262
Polarizability
28.563572
Polar Surface Area
18.51
Rotatable Bonds
7
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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