Potassium cyclamate

CAS Number: 4-5-7758
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[O-]S(NC1CCCCC1)(=O)=O.[K+]
Molecule Information
Mutagenic: none Tumorigenic: low Irritant: none
Formula
K.C6H12NO3S
Molecular Weight
178.231
Drug-likeness
-7.8998
CAS
4-5-7758
InChI key
PALPTWOXTUVPKA-UHFFFAOYSA-M
SMILES
[O-]S(NC1CCCCC1)(=O)=O.[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
low
Handling Watch
Irritant: none | Reproductive effective: high
PropertyValue
CAS Number 4-5-7758
Molecule Name Potassium cyclamate
Molecular Formula K.C6H12NO3S
SMILES [O-]S(NC1CCCCC1)(=O)=O.[K+]
InChI InChI=1S/C6H13NO3S.K/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);/q;+1/p-1
InChI Key PALPTWOXTUVPKA-UHFFFAOYSA-M
CanonicalSyTyLFy 56af06620c743838
TotalMolweight 217.329
Molecular Weight 178.231
MonoisotopicMass 178.053789
CLogP -1.7475
CLogS -0.997
H Acceptors 4
H Donors 1
TotalSurfaceArea 128.87
Relative PSA 0.42151
PolarSurfaceArea 77.61
Drug-likeness -7.8998
Mutagenic none
Tumorigenic low
Reproductive Effective high
Irritant none
Shape Index 0.63636
Molecula Flexibility 0.472
Molecular Complexity 0.58889
Fragments 2
Non HAtoms 11
NonCHAtoms 5
Electronegative Atoms 5
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Sp3Atoms 8
Symmetricatoms 3
Amides 1
AcidicOxygens 1

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