3-Aminooxazolidin-2-one hydrochloride

CAS Number: 5567-67-9
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NN(CCO1)C1=O.Cl
Molecule Information
Mutagenic: high Tumorigenic: high Irritant: none
Formula
HCl.C3H6N2O2
Molecular Weight
102.093
Drug-likeness
-3.2083
CAS
5567-67-9
InChI key
NZPARMKLAMASCC-UHFFFAOYSA-N
SMILES
NN(CCO1)C1=O.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 5567-67-9
Molecule Name 3-Aminooxazolidin-2-one hydrochloride
Molecular Formula HCl.C3H6N2O2
SMILES NN(CCO1)C1=O.Cl
InChI InChI=1S/C3H6N2O2.ClH/c4-5-1-2-7-3(5)6;/h1-2,4H2;1H
InChI Key NZPARMKLAMASCC-UHFFFAOYSA-N
CanonicalSyTyLFy ab1ae17f82f40747
TotalMolweight 138.554
Molecular Weight 102.093
MonoisotopicMass 102.042928
CLogP -1.7138
CLogS -0.768
H Acceptors 4
H Donors 1
TotalSurfaceArea 74.09
Relative PSA 0.56499
PolarSurfaceArea 55.56
Drug-likeness -3.2083
Mutagenic high
Tumorigenic high
Reproductive Effective none
Irritant none
Shape Index 0.57143
Molecular Complexity 0.8283
Fragments 2
Non HAtoms 7
NonCHAtoms 4
Electronegative Atoms 4
Rings Closures 1
Small Rings 1
Sp3Atoms 4

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