Sulfuric acid, lutetium(3+) salt (3:2)

CAS Number: 14986-89-1
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[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[Lu+3].[Lu+3]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
Lu.Lu.O4S.O4S.O4S
Molecular Weight
96.062
Drug-likeness
-10.57
CAS
14986-89-1
InChI key
GJENVQFRSQOLAE-UHFFFAOYSA-H
SMILES
[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[Lu+3].[Lu+3]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 14986-89-1
Molecule Name Sulfuric acid, lutetium(3+) salt (3:2)
Molecular Formula Lu.Lu.O4S.O4S.O4S
SMILES [O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[Lu+3].[Lu+3]
InChI InChI=1S/2Lu.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6
InChI Key GJENVQFRSQOLAE-UHFFFAOYSA-H
CanonicalSyTyLFy c14b4c9dc4d2d9b9
TotalMolweight 638.126
Molecular Weight 96.062
MonoisotopicMass 95.95173
CLogP -5.9055
CLogS 1.524
H Acceptors 4
TotalSurfaceArea 57.14
Relative PSA 1
PolarSurfaceArea 88.64
Drug-likeness -10.57
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.6
Molecular Complexity 0.69315
Fragments 5
Non HAtoms 5
NonCHAtoms 5
Electronegative Atoms 5
Sp3Atoms 3
Symmetricatoms 2
AcidicOxygens 2

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