Molecule

ID:131525

General Information
Structure
MolImage
Molecular Formula
C₈H₂₈Cl₅N₅
Molecular Mass
371.60642
Exact Mass
369.07873432
Charge
0
InChI
InChI=1S/C8H23N5.5ClH/c9-1-3-11-5-7-13-8-6-12-4-2-10;;;;;/h11-13H,1-10H2;5*1H
InChIKey
VGICAQBLDJAGSJ-UHFFFAOYSA-N
Canonic Smiles
NCCNCCNCCNCCN.Cl.Cl.Cl.Cl.Cl
Isomeric Smiles
C(CNCCNCCNCCN)N.Cl.Cl.Cl.Cl.Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
5
LogD (pH = 5.5)
-11.474277
LogD (pH = 7.4)
-7.797468
Log P
-2.515653
Molar Refractivity
56.0418
Polarizability
23.113699
Polar Surface Area
88.13
Rotatable Bonds
10
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
No Data Available
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Molecule Details
References
Bioactivity
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