Zinc, (2-cyanophenyl)iodo-

CAS Number: 148651-34-7
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N#Cc1cccc[c-]1.[Zn+]I
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
IZn.C7H4N
Molecular Weight
102.116
Drug-likeness
-6.0498
CAS
148651-34-7
InChI key
NQAUTYGJZZWZNO-UHFFFAOYSA-M
SMILES
N#Cc1cccc[c-]1.[Zn+]I
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 148651-34-7
Molecule Name Zinc, (2-cyanophenyl)iodo-
Molecular Formula IZn.C7H4N
SMILES N#Cc1cccc[c-]1.[Zn+]I
InChI InChI=1S/C7H4N.HI.Zn/c8-6-7-4-2-1-3-5-7;;/h1-4H;1H;/q-1;;+2/p-1
InChI Key NQAUTYGJZZWZNO-UHFFFAOYSA-M
CanonicalSyTyLFy 3ae6722557a88a48
TotalMolweight 294.406
Molecular Weight 102.116
MonoisotopicMass 102.034374
CLogP 1.2186
CLogS -2.389
H Acceptors 1
TotalSurfaceArea 87.85
Relative PSA 0.15435
PolarSurfaceArea 23.79
Drug-likeness -6.0498
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.75
Molecular Complexity 0.64124
Fragments 2
Non HAtoms 8
NonCHAtoms 1
Electronegative Atoms 1
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6

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