(2E)-N-(4-Fluorophenyl)-2-(hydroxyimino)acetamide

CAS Number: 351-09-7
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O/N=C/C(Nc(cc1)ccc1F)=O
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C8H7N2O2F
Molecular Weight
182.154
Drug-likeness
-0.12
CAS
351-09-7
InChI key
DXSBFTGUEOWLSD-UHFFFAOYSA-N
SMILES
O/N=C/C(Nc(cc1)ccc1F)=O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 351-09-7
Molecule Name (2E)-N-(4-Fluorophenyl)-2-(hydroxyimino)acetamide
Molecular Formula C8H7N2O2F
SMILES O/N=C/C(Nc(cc1)ccc1F)=O
InChI InChI=1S/C8H7FN2O2/c9-6-1-3-7(4-2-6)11-8(12)5-10-13/h1-5,13H,(H,11,12)
InChI Key DXSBFTGUEOWLSD-UHFFFAOYSA-N
CanonicalSyTyLFy 3dc3ca70c07e4e78
TotalMolweight 182.154
Molecular Weight 182.154
MonoisotopicMass 182.049156
CLogP 0.9465
CLogS -2.355
H Acceptors 4
H Donors 2
TotalSurfaceArea 139.93
Relative PSA 0.35096
PolarSurfaceArea 61.69
Drug-likeness -0.12
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.76923
Molecula Flexibility 0.50122
Molecular Complexity 0.58773
Fragments 1
Non HAtoms 13
NonCHAtoms 5
Electronegative Atoms 5
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 1
Symmetricatoms 2
Amides 1

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