Molecule

ID:2887

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀CuN₄
Molecular Mass
259.8386
Exact Mass
259.09839416
Charge
0
InChI
InChI=1S/C10H20N4.Cu/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1;/h1-10H2;/q-4;+4
InChIKey
XPVUWNNWLZFNKK-UHFFFAOYSA-N
Canonic Smiles
C1CN2CCN3[Cu]42N(C1)CCN4CCC3
Isomeric Smiles
C1CN2CCN3CCCN4CCN(C1)[Cu]234
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-6.174613
LogD (pH = 7.4)
-4.6549735
Log P
-1.2982
Molar Refractivity
57.4284
Polarizability
26.282103
Polar Surface Area
12.96
Rotatable Bonds
0
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
0.63
LOG S
0.49
Solubility (Water)
7.99e+02 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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