Molecule

ID:110211

General Information
Structure
MolImage
Molecular Formula
C₁₂Nd₂O₂₄Pr₂
Molecular Mass
1098.4093
Exact Mass
1093.50870088
Charge
0
InChI
InChI=1S/6C2H2O4.2Nd.2Pr/c6*3-1(4)2(5)6;;;;/h6*(H,3,4)(H,5,6);;;;/q;;;;;;4*+3/p-12
InChIKey
OJRVQRXQNVDJNU-UHFFFAOYSA-B
Canonic Smiles
O=C(C(=O)O[Pr]1OC(=O)C(=O)O1)O[Pr]1OC(=O)C(=O)O1.O=C(C(=O)O[Nd]1OC(=O)C(=O)O1)O[Nd]1OC(=O)C(=O)O1
Isomeric Smiles
O=C(O[Pr]1OC(=O)C(=O)O1)C(=O)O[Pr]1OC(=O)C(=O)O1.O=C(O[Nd]1OC(=O)C(=O)O1)C(=O)O[Nd]1OC(=O)C(=O)O1
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
4.1442
LogD (pH = 7.4)
4.1442
Log P
4.1442
Molar Refractivity
37.7502
Polarizability
29.100811
Polar Surface Area
157.8
Rotatable Bonds
10
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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