Molecule

ID:110625

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₄CdO₄
Molecular Mass
450.89256
Exact Mass
452.14906757
Charge
0
InChI
InChI=1S/2C10H18O2.Cd/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*9H,1-8H2,(H,11,12);/q;;+2/p-2
InChIKey
QLTARLRQJWXGGA-UHFFFAOYSA-L
Canonic Smiles
[O-]C(=O)CCCC1CCCCC1.[O-]C(=O)CCCC1CCCCC1.[Cd+2]
Isomeric Smiles
[Cd+2].[O-]C(=O)CCCC1CCCCC1.[O-]C(=O)CCCC1CCCCC1
Calculated Properties
JChem
Acid pKa
5.0541363
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3894231
LogD (pH = 7.4)
0.6476406
Log P
2.9678953
Molar Refractivity
58.4601
Polarizability
18.819902
Polar Surface Area
40.13
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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