Molecule

ID:78247

General Information
Structure
MolImage
Molecular Formula
C₁₂H₃₂N₄Zr
Molecular Mass
323.63328
Exact Mass
322.16740104
Charge
0
InChI
InChI=1S/4C3H8N.Zr/c4*1-3-4-2;/h4*3H2,1-2H3;/q4*-1;+4
InChIKey
SRLSISLWUNZOOB-UHFFFAOYSA-N
Canonic Smiles
CCN([Zr](N(CC)C)(N(CC)C)N(CC)C)C
Isomeric Smiles
[Zr](N(CC)C)(N(CC)C)(N(CC)C)N(CC)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-3.8477798
LogD (pH = 7.4)
-2.8089778
Log P
0.5228
Molar Refractivity
74.568
Polarizability
33.583164
Polar Surface Area
12.96
Rotatable Bonds
8
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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