PUBCHEM_54611399

CAS Number: 26241-10-1
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ON(N=O)S(O)(=O)=O.[K+]
Molecule Information
Mutagenic: high Tumorigenic: high Irritant: none
Formula
K.H2N2O5S
Molecular Weight
142.091
Drug-likeness
-1.5278
CAS
26241-10-1
InChI key
NLCLTZAZGVXFSV-UHFFFAOYSA-N
SMILES
ON(N=O)S(O)(=O)=O.[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: low
PropertyValue
CAS Number 26241-10-1
Molecule Name PUBCHEM_54611399
Molecular Formula K.H2N2O5S
SMILES ON(N=O)S(O)(=O)=O.[K+]
InChI InChI=1S/K.H2N2O5S/c;3-1-2(4)8(5,6)7/h;4H,(H,5,6,7)/q+1;
InChI Key NLCLTZAZGVXFSV-UHFFFAOYSA-N
CanonicalSyTyLFy 1f056f28e1130e0f
TotalMolweight 181.189
Molecular Weight 142.091
MonoisotopicMass 141.968443
CLogP -1.7809
CLogS 1.311
H Acceptors 7
H Donors 2
TotalSurfaceArea 82.88
Relative PSA 1
PolarSurfaceArea 115.65
Drug-likeness -1.5278
Mutagenic high
Tumorigenic high
Reproductive Effective low
Irritant none
Nasty Functions nitroso
Shape Index 0.625
Molecula Flexibility 0.80153
Molecular Complexity 0.85498
Fragments 2
Non HAtoms 8
NonCHAtoms 8
Electronegative Atoms 8
Sp3Atoms 3
Symmetricatoms 1
AcidicOxygens 1

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