Nitrosylsulfuric acid

CAS Number: 7782-78-7
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OS(ON=O)(=O)=O
Molecule Information
Mutagenic: high Tumorigenic: high Irritant: none
Formula
HNO5S
Molecular Weight
127.076
Drug-likeness
-3.1975
CAS
7782-78-7
InChI key
VQTGUFBGYOIUFS-UHFFFAOYSA-N
SMILES
OS(ON=O)(=O)=O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: high
PropertyValue
CAS Number 7782-78-7
Molecule Name Nitrosylsulfuric acid
Molecular Formula HNO5S
SMILES OS(ON=O)(=O)=O
InChI InChI=1S/HNO5S/c2-1-6-7(3,4)5/h(H,3,4,5)
InChI Key VQTGUFBGYOIUFS-UHFFFAOYSA-N
CanonicalSyTyLFy 647f540d6651b67
TotalMolweight 127.076
Molecular Weight 127.076
MonoisotopicMass 126.957544
CLogP -0.5737
CLogS 0.864
H Acceptors 6
H Donors 1
TotalSurfaceArea 76.23
Relative PSA 1
PolarSurfaceArea 101.41
Drug-likeness -3.1975
Mutagenic high
Tumorigenic high
Reproductive Effective high
Irritant none
Nasty Functions nitroso
Shape Index 0.71429
Molecula Flexibility 0.72115
Molecular Complexity 0.64864
Fragments 1
Non HAtoms 7
NonCHAtoms 7
Electronegative Atoms 7
Rotatable Bond 2
Sp3Atoms 3
Symmetricatoms 1
AcidicOxygens 1

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