Perchloric acid--pyridazine (1/1)

CAS Number: 41048-29-7
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OCl(=O)(=O)=O.c1cnncc1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HO4Cl.C4H4N2
Molecular Weight
80.0898
Drug-likeness
-1.8447
CAS
41048-29-7
InChI key
NUVSPKXXSFYPOY-UHFFFAOYSA-N
SMILES
OCl(=O)(=O)=O.c1cnncc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: high
PropertyValue
CAS Number 41048-29-7
Molecule Name Perchloric acid--pyridazine (1/1)
Molecular Formula HO4Cl.C4H4N2
SMILES OCl(=O)(=O)=O.c1cnncc1
InChI InChI=1S/C4H4N2.ClHO4/c1-2-4-6-5-3-1;2-1(3,4)5/h1-4H;(H,2,3,4,5)
InChI Key NUVSPKXXSFYPOY-UHFFFAOYSA-N
CanonicalSyTyLFy fe4e4fc7067b5b18
TotalMolweight 180.547
Molecular Weight 80.0898
MonoisotopicMass 80.037448
CLogP -0.1702
CLogS -0.37
H Acceptors 2
TotalSurfaceArea 70.78
Relative PSA 0.30997
PolarSurfaceArea 25.78
Drug-likeness -1.8447
Mutagenic none
Tumorigenic none
Reproductive Effective high
Irritant none
Shape Index 0.66667
Molecular Complexity 0.53648
Fragments 2
Non HAtoms 6
NonCHAtoms 2
Electronegative Atoms 2
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Symmetricatoms 3
Aromatic Nitrogens 2

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