Perchloric acid--morpholine (1/1)

CAS Number: 35175-75-8
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OCl(=O)(=O)=O.C1NCCOC1
Molecule Information
Mutagenic: high Tumorigenic: high Irritant: high
Formula
HO4Cl.C4H9NO
Molecular Weight
87.1215
Drug-likeness
-1.3987
CAS
35175-75-8
InChI key
OJYQUDNZYRNGKK-UHFFFAOYSA-N
SMILES
OCl(=O)(=O)=O.C1NCCOC1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
high
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 35175-75-8
Molecule Name Perchloric acid--morpholine (1/1)
Molecular Formula HO4Cl.C4H9NO
SMILES OCl(=O)(=O)=O.C1NCCOC1
InChI InChI=1S/C4H9NO.ClHO4/c1-3-6-4-2-5-1;2-1(3,4)5/h5H,1-4H2;(H,2,3,4,5)
InChI Key OJYQUDNZYRNGKK-UHFFFAOYSA-N
CanonicalSyTyLFy 347c400c4a69b867
TotalMolweight 187.578
Molecular Weight 87.1215
MonoisotopicMass 87.068414
CLogP -0.4195
CLogS -0.236
H Acceptors 2
H Donors 1
TotalSurfaceArea 76.5
Relative PSA 0.28052
PolarSurfaceArea 21.26
Drug-likeness -1.3987
Mutagenic high
Tumorigenic high
Reproductive Effective none
Irritant high
Shape Index 0.66667
Molecula Flexibility 0.24526
Molecular Complexity 0.53648
Fragments 2
Non HAtoms 6
NonCHAtoms 2
Electronegative Atoms 2
Rings Closures 1
Small Rings 1
Sp3Atoms 6
Symmetricatoms 2
Amines 1
AlkylAmines 1
BasicNitrogens 1

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