(2-Chloropyridin-3-yl)(furan-2-yl)methanone

CAS Number: 914203-42-2
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O=C(c1ccco1)c1cccnc1Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C10H6NO2Cl
Molecular Weight
207.616
Drug-likeness
0.094105
CAS
914203-42-2
InChI key
ZIACCNOEEZDAMR-UHFFFAOYSA-N
SMILES
O=C(c1ccco1)c1cccnc1Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 914203-42-2
Molecule Name (2-Chloropyridin-3-yl)(furan-2-yl)methanone
Molecular Formula C10H6NO2Cl
SMILES O=C(c1ccco1)c1cccnc1Cl
InChI InChI=1S/C10H6ClNO2/c11-10-7(3-1-5-12-10)9(13)8-4-2-6-14-8/h1-6H
InChI Key ZIACCNOEEZDAMR-UHFFFAOYSA-N
CanonicalSyTyLFy e9d5a7ca211b40fd
TotalMolweight 207.616
Molecular Weight 207.616
MonoisotopicMass 207.008706
CLogP 1.6808
CLogS -3.102
H Acceptors 3
TotalSurfaceArea 154.64
Relative PSA 0.24651
PolarSurfaceArea 43.1
Drug-likeness 0.094105
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.57143
Molecula Flexibility 0.53433
Molecular Complexity 0.70075
Fragments 1
Non HAtoms 14
NonCHAtoms 4
Electronegative Atoms 4
Rotatable Bond 2
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 11
Aromatic Nitrogens 1

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