Molecule

ID:132074

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂Cl₆N₄Zn
Molecular Mass
514.36988
Exact Mass
509.84845448
Charge
0
InChI
InChI=1S/2C7H6ClN2.4ClH.Zn/c2*1-5-4-6(8)2-3-7(5)10-9;;;;;/h2*2-4H,1H3;4*1H;/q2*+1;;;;;+2/p-4
InChIKey
RIIVFDKBXXMYRL-UHFFFAOYSA-J
Canonic Smiles
N#[N+]c1ccc(cc1C)Cl.N#[N+]c1ccc(cc1C)Cl.Cl[Zn]Cl.[Cl-].[Cl-]
Isomeric Smiles
Cc1cc(ccc1[N+]#N)Cl.Cc1cc(ccc1[N+]#N)Cl.[Cl-].[Cl-].Cl[Zn]Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9272053
LogD (pH = 7.4)
2.9272053
Log P
2.9272053
Molar Refractivity
61.5501
Polarizability
15.3137455
Polar Surface Area
28.15
Rotatable Bonds
0
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation