Molecule

ID:112846

General Information
Structure
MolImage
Molecular Formula
C₈H₂₃N₅
Molecular Mass
189.30172
Exact Mass
189.19534576
Charge
0
InChI
InChI=1S/C8H23N5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-13H,1-10H2
InChIKey
FAGUFWYHJQFNRV-UHFFFAOYSA-N
Canonic Smiles
NCCNCCNCCNCCN
Isomeric Smiles
NCCNCCNCCNCCN
Calculated Properties
JChem
LogD (pH = 7.4)
-7.80
LogD (pH = 5.5)
-11.47
Log P
-2.52
Rotatable Bonds
10
H Donor
5
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
9.81
Polar Surface Area
88.13
Polarizability
23.68
Molar Refractivity
56.04
LOG S
1.27
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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