Chlorimide

CAS Number: 9-7-3400
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ClNCl
Molecule Information
Mutagenic: low Tumorigenic: none Irritant: none
Formula
HNCl2
Molecular Weight
85.9209
Drug-likeness
-1.7675
CAS
9-7-3400
InChI key
JSYGRUBHOCKMGQ-UHFFFAOYSA-N
SMILES
ClNCl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
low
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 9-7-3400
Molecule Name Chlorimide
Molecular Formula HNCl2
SMILES ClNCl
InChI InChI=1S/Cl2HN/c1-3-2/h3H
InChI Key JSYGRUBHOCKMGQ-UHFFFAOYSA-N
CanonicalSyTyLFy f54e9a0144a0e0a4
TotalMolweight 85.9209
Molecular Weight 85.9209
MonoisotopicMass 84.948603
CLogP -3.2406
CLogS 0.751
H Acceptors 1
H Donors 1
TotalSurfaceArea 55.8
Relative PSA 0.20538
PolarSurfaceArea 12.03
Drug-likeness -1.7675
Mutagenic low
Tumorigenic none
Reproductive Effective none
Irritant none
Nasty Functions Cl,Br,I on N,O,P,S,Se,I
Shape Index 1
Fragments 1
Non HAtoms 3
NonCHAtoms 3
Electronegative Atoms 3
Sp3Atoms 1
Symmetricatoms 1

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