l-Cysteine hydrochloride

CAS Number: 52-89-1
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N[C@@H](CS)C(O)=O.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C3H7NO2S
Molecular Weight
121.16
Drug-likeness
-11.18
CAS
52-89-1
InChI key
IFQSXNOEEPCSLW-DKWTVANSSA-N
SMILES
N[C@@H](CS)C(O)=O.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 52-89-1
Molecule Name l-Cysteine hydrochloride
Molecular Formula HCl.C3H7NO2S
SMILES N[C@@H](CS)C(O)=O.Cl
InChI InChI=1S/C3H7NO2S.ClH/c4-2(1-7)3(5)6;/h2,7H,1,4H2,(H,5,6);1H/t2-;/m0./s1
InChI Key IFQSXNOEEPCSLW-DKWTVANSSA-N
CanonicalSyTyLFy 820992a3af3db355
TotalMolweight 157.621
Molecular Weight 121.16
MonoisotopicMass 121.019749
CLogP -3.0583
CLogS -1.063
H Acceptors 3
H Donors 2
TotalSurfaceArea 88.24
Relative PSA 0.72552
PolarSurfaceArea 102.12
Drug-likeness -11.18
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.71429
Molecula Flexibility 0.73087
Molecular Complexity 0.69315
Fragments 2
Non HAtoms 7
NonCHAtoms 4
Electronegative Atoms 4
StereoCenters 1
Rotatable Bond 2
Sp3Atoms 5
Amines 1
AlkylAmines 1
BasicNitrogens 1
AcidicOxygens 1
StereoCon this enantiomer

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