Molecule

ID:120492

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀Cl₂N₄O₂Zn
Molecular Mass
376.5881
Exact Mass
374.02547326
Charge
0
InChI
InChI=1S/C11H20N4O2.2ClH.Zn/c1-9(2)5-11(14-7(16)12-9)6-10(3,4)13-8(17)15-11;;;/h5-6H2,1-4H3,(H2,12,14,16)(H2,13,15,17);2*1H;/q;;;+2/p-2
InChIKey
YNXNNBAAEGSYKP-UHFFFAOYSA-L
Canonic Smiles
O=C1NC2(NC(=O)NC(C2)(C)C)CC(N1)(C)C.[Cl-].[Cl-].[Zn+2]
Isomeric Smiles
C12(NC(=O)NC(C1)(C)C)NC(=O)NC(C2)(C)C.[Cl-].[Cl-].[Zn+2]
Calculated Properties
JChem
Acid pKa
12.99239
H Acceptors
2
H Donor
4
LogD (pH = 5.5)
0.14755633
LogD (pH = 7.4)
0.1475556
Log P
0.14755638
Molar Refractivity
61.8278
Polarizability
24.285318
Polar Surface Area
82.26
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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