(2E)-N-(Cyclohexylmethoxy)-2-(methoxyimino)acetamide

CAS Number: 1202859-65-1
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CO/N=C/C(NOCC1CCCCC1)=O
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C10H18N2O3
Molecular Weight
214.264
Drug-likeness
-2.6469
CAS
1202859-65-1
InChI key
JKTNNIROYSQAFK-UHFFFAOYSA-N
SMILES
CO/N=C/C(NOCC1CCCCC1)=O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 1202859-65-1
Molecule Name (2E)-N-(Cyclohexylmethoxy)-2-(methoxyimino)acetamide
Molecular Formula C10H18N2O3
SMILES CO/N=C/C(NOCC1CCCCC1)=O
InChI InChI=1S/C10H18N2O3/c1-14-11-7-10(13)12-15-8-9-5-3-2-4-6-9/h7,9H,2-6,8H2,1H3,(H,12,13)
InChI Key JKTNNIROYSQAFK-UHFFFAOYSA-N
CanonicalSyTyLFy 967a331f6d0f5846
TotalMolweight 214.264
Molecular Weight 214.264
MonoisotopicMass 214.131743
CLogP 0.8259
CLogS -2.451
H Acceptors 5
H Donors 1
TotalSurfaceArea 181.29
Relative PSA 0.30895
PolarSurfaceArea 59.92
Drug-likeness -2.6469
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.8
Molecula Flexibility 0.58761
Molecular Complexity 0.42796
Fragments 1
Non HAtoms 15
NonCHAtoms 5
Electronegative Atoms 5
Rotatable Bond 5
Rings Closures 1
Small Rings 1
Sp3Atoms 10
Symmetricatoms 2

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