Ammonium aluminum sulfate

CAS Number: 7784-25-0
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[O-]S([O-])(=O)=O.[O-]S(O)(=O)=O.N.[Al+3]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HO4S.O4S.Al.H3N
Molecular Weight
97.0699
Drug-likeness
-9.3332
CAS
7784-25-0
InChI key
LCQXXBOSCBRNNT-UHFFFAOYSA-K
SMILES
[O-]S([O-])(=O)=O.[O-]S(O)(=O)=O.N.[Al+3]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 7784-25-0
Molecule Name Ammonium aluminum sulfate
Molecular Formula HO4S.O4S.Al.H3N
SMILES [O-]S([O-])(=O)=O.[O-]S(O)(=O)=O.N.[Al+3]
InChI InChI=1S/Al.H3N.2H2O4S/c;;2*1-5(2,3)4/h;1H3;2*(H2,1,2,3,4)/q+3;;;/p-3
InChI Key LCQXXBOSCBRNNT-UHFFFAOYSA-K
CanonicalSyTyLFy c14b4c9dc4d2d9b9
TotalMolweight 237.145
Molecular Weight 97.0699
MonoisotopicMass 96.959555
CLogP -4.6579
CLogS 1.524
H Acceptors 4
H Donors 1
TotalSurfaceArea 55.96
Relative PSA 1
PolarSurfaceArea 85.81
Drug-likeness -9.3332
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.6
Molecular Complexity 0.89588
Fragments 4
Non HAtoms 5
NonCHAtoms 5
Electronegative Atoms 5
Sp3Atoms 3
Symmetricatoms 1
AcidicOxygens 2

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