Perchloric acid--hydrazinecarbohydrazonohydrazide (1/1)

CAS Number: 4104-85-2
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NNC(NN)=NN.OCl(=O)(=O)=O
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
HO4Cl.CH8N6
Molecular Weight
104.117
Drug-likeness
-2.868
CAS
4104-85-2
InChI key
WICGOXBHXXGTKT-UHFFFAOYSA-N
SMILES
NNC(NN)=NN.OCl(=O)(=O)=O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: low
PropertyValue
CAS Number 4104-85-2
Molecule Name Perchloric acid--hydrazinecarbohydrazonohydrazide (1/1)
Molecular Formula HO4Cl.CH8N6
SMILES NNC(NN)=NN.OCl(=O)(=O)=O
InChI InChI=1S/CH8N6.ClHO4/c2-5-1(6-3)7-4;2-1(3,4)5/h2-4H2,(H2,5,6,7);(H,2,3,4,5)
InChI Key WICGOXBHXXGTKT-UHFFFAOYSA-N
CanonicalSyTyLFy e10ffadc22671fda
TotalMolweight 204.573
Molecular Weight 104.117
MonoisotopicMass 104.081044
CLogP -2.8737
CLogS -1.805
H Acceptors 6
H Donors 5
TotalSurfaceArea 84.95
Relative PSA 0.94456
PolarSurfaceArea 114.48
Drug-likeness -2.868
Mutagenic none
Tumorigenic high
Reproductive Effective low
Irritant none
Nasty Functions hydrazine
Shape Index 0.71429
Molecula Flexibility 0.59162
Molecular Complexity 0.64864
Fragments 2
Non HAtoms 7
NonCHAtoms 6
Electronegative Atoms 6
Sp3Atoms 3
Symmetricatoms 2
BasicNitrogens 1

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