(2-Azatricyclo[3.3.1.1~3,7~]decan-2-yl)oxidanyl

CAS Number: 57625-08-8
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ON1C2CC(C3)CC1CC3C2
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C9H14NO
Molecular Weight
152.216
Drug-likeness
0.15496
CAS
57625-08-8
InChI key
BCJCJALHNXSXKE-UHFFFAOYSA-N
SMILES
ON1C2CC(C3)CC1CC3C2
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 57625-08-8
Molecule Name (2-Azatricyclo[3.3.1.1~3,7~]decan-2-yl)oxidanyl
Molecular Formula C9H14NO
SMILES ON1C2CC(C3)CC1CC3C2
InChI InChI=1S/C9H14NO/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2
InChI Key BCJCJALHNXSXKE-UHFFFAOYSA-N
CanonicalSyTyLFy b2dd29ef82c2a817
TotalMolweight 152.216
Molecular Weight 152.216
MonoisotopicMass 152.107539
CLogP 0.6858
CLogS -2.151
H Acceptors 2
TotalSurfaceArea 108.45
Relative PSA 0.15353
PolarSurfaceArea 23.47
Drug-likeness 0.15496
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.54545
Molecula Flexibility 0.25704
Molecular Complexity 0.67959
Fragments 1
Non HAtoms 11
NonCHAtoms 2
Electronegative Atoms 2
Rings Closures 3
Small Rings 4
Sp3Atoms 11
Symmetricatoms 5

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