Indium tricyanide

CAS Number: 13074-68-5
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[C-]#N.[C-]#N.[C-]#N.[In+3]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
In.CN.CN.CN
Molecular Weight
26.018
Drug-likeness
-1.7675
CAS
13074-68-5
InChI key
PXXMJOFKFXKJES-UHFFFAOYSA-N
SMILES
[C-]#N.[C-]#N.[C-]#N.[In+3]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 13074-68-5
Molecule Name Indium tricyanide
Molecular Formula In.CN.CN.CN
SMILES [C-]#N.[C-]#N.[C-]#N.[In+3]
InChI InChI=1S/3CN.In/c3*1-2;/q3*-1;+3
InChI Key PXXMJOFKFXKJES-UHFFFAOYSA-N
CanonicalSyTyLFy 6ee35ce8310265f6
TotalMolweight 192.874
Molecular Weight 26.018
MonoisotopicMass 26.003074
CLogP -0.2778
CLogS -0.167
H Acceptors 1
TotalSurfaceArea 13.56
Relative PSA 1
PolarSurfaceArea 23.79
Drug-likeness -1.7675
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 1
Fragments 4
Non HAtoms 2
NonCHAtoms 1
Electronegative Atoms 1

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