(1-Ethyl-1H-imidazol-2-yl)(furan-2-yl)methanone

CAS Number: 62366-29-4
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CCn1c(C(c2ccco2)=O)ncc1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C10H10N2O2
Molecular Weight
190.201
Drug-likeness
2.9617
CAS
62366-29-4
InChI key
HDUBYTNPKCJGCP-UHFFFAOYSA-N
SMILES
CCn1c(C(c2ccco2)=O)ncc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 62366-29-4
Molecule Name (1-Ethyl-1H-imidazol-2-yl)(furan-2-yl)methanone
Molecular Formula C10H10N2O2
SMILES CCn1c(C(c2ccco2)=O)ncc1
InChI InChI=1S/C10H10N2O2/c1-2-12-6-5-11-10(12)9(13)8-4-3-7-14-8/h3-7H,2H2,1H3
InChI Key HDUBYTNPKCJGCP-UHFFFAOYSA-N
CanonicalSyTyLFy 97713906abdc5d0b
TotalMolweight 190.201
Molecular Weight 190.201
MonoisotopicMass 190.074228
CLogP 0.4168
CLogS -1.165
H Acceptors 4
TotalSurfaceArea 154.44
Relative PSA 0.29131
PolarSurfaceArea 48.03
Drug-likeness 2.9617
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.57143
Molecula Flexibility 0.54277
Molecular Complexity 0.69315
Fragments 1
Non HAtoms 14
NonCHAtoms 4
Electronegative Atoms 4
Rotatable Bond 3
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 10
Sp3Atoms 2
Aromatic Nitrogens 2
BasicNitrogens 1

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