Diazene, (2-fluoroethyl)hydroxy-, potassium salt, (E)-

CAS Number: 105319-29-7
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[O-]/N=N/CCF.[K+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
K.C2H4N2OF
Molecular Weight
91.0648
Drug-likeness
-6.4139
CAS
105319-29-7
InChI key
XUODCAUHOHANGU-UHFFFAOYSA-M
SMILES
[O-]/N=N/CCF.[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 105319-29-7
Molecule Name Diazene, (2-fluoroethyl)hydroxy-, potassium salt, (E)-
Molecular Formula K.C2H4N2OF
SMILES [O-]/N=N/CCF.[K+]
InChI InChI=1S/C2H5FN2O.K/c3-1-2-4-5-6;/h1-2H2,(H,4,6);/q;+1/p-1
InChI Key XUODCAUHOHANGU-UHFFFAOYSA-M
CanonicalSyTyLFy a1cbab9341ca4a80
TotalMolweight 130.163
Molecular Weight 91.0648
MonoisotopicMass 91.030766
CLogP 0.713
CLogS -0.898
H Acceptors 3
TotalSurfaceArea 77.92
Relative PSA 0.4787
PolarSurfaceArea 47.78
Drug-likeness -6.4139
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 1
Molecula Flexibility 0.56529
Molecular Complexity 0.69315
Fragments 2
Non HAtoms 6
NonCHAtoms 4
Electronegative Atoms 4
Rotatable Bond 2
Sp3Atoms 3

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