7-Oxa-2-azaspiro[3.5]nonane

CAS Number: 194157-10-3
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C1NCC11CCOCC1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C7H13NO
Molecular Weight
127.186
Drug-likeness
-2.9744
CAS
194157-10-3
InChI key
WZFOPYGRZNUWSP-UHFFFAOYSA-N
SMILES
C1NCC11CCOCC1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 194157-10-3
Molecule Name 7-Oxa-2-azaspiro[3.5]nonane
Molecular Formula C7H13NO
SMILES C1NCC11CCOCC1
InChI InChI=1S/C7H13NO/c1-3-9-4-2-7(1)5-8-6-7/h8H,1-6H2
InChI Key WZFOPYGRZNUWSP-UHFFFAOYSA-N
CanonicalSyTyLFy f1a45055ed571ecb
TotalMolweight 127.186
Molecular Weight 127.186
MonoisotopicMass 127.099714
CLogP 0.2301
CLogS -0.929
H Acceptors 2
H Donors 1
TotalSurfaceArea 100.93
Relative PSA 0.21262
PolarSurfaceArea 21.26
Drug-likeness -2.9744
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.66667
Molecula Flexibility 0.24499
Molecular Complexity 0.59915
Fragments 1
Non HAtoms 9
NonCHAtoms 2
Electronegative Atoms 2
Rings Closures 2
Small Rings 2
Sp3Atoms 9
Symmetricatoms 3
Amines 1
AlkylAmines 1
BasicNitrogens 1

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