3-(2-Bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole

CAS Number: 1000339-26-3
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Clc(cc1)cc(Cl)c1-c1nc(-c(cccc2)c2Br)no1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C14H7N2OBrCl2
Molecular Weight
370.033
Drug-likeness
-0.59356
CAS
1000339-26-3
InChI key
MSJONQGCEQKHBO-UHFFFAOYSA-N
SMILES
Clc(cc1)cc(Cl)c1-c1nc(-c(cccc2)c2Br)no1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 1000339-26-3
Molecule Name 3-(2-Bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole
Molecular Formula C14H7N2OBrCl2
SMILES Clc(cc1)cc(Cl)c1-c1nc(-c(cccc2)c2Br)no1
InChI InChI=1S/C14H7BrCl2N2O/c15-11-4-2-1-3-9(11)13-18-14(20-19-13)10-6-5-8(16)7-12(10)17/h1-7H
InChI Key MSJONQGCEQKHBO-UHFFFAOYSA-N
CanonicalSyTyLFy 4b55ad961f2a8aaf
TotalMolweight 370.033
Molecular Weight 370.033
MonoisotopicMass 367.911878
CLogP 5.1694
CLogS -7.686
H Acceptors 3
TotalSurfaceArea 229.46
Relative PSA 0.15711
PolarSurfaceArea 38.92
Drug-likeness -0.59356
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.6
Molecula Flexibility 0.37027
Molecular Complexity 0.79161
Fragments 1
Non HAtoms 20
NonCHAtoms 6
Electronegative Atoms 6
Rotatable Bond 2
Rings Closures 3
Small Rings 3
Aromatic Rings 3
Aromatic Atoms 17
Aromatic Nitrogens 2

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