CCCC(=O)C1=NOC(=N1)COC2=C(C=C(C=C2)Cl)Cl
Name: 1-[5-[(2,4-dichlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]butan-1-one
SMILES: CCCC(=O)C1=NOC(=N1)COC2=C(C=C(C=C2)Cl)Cl

Molecular Processing

Molecular formula
C13H12Cl2N2O3
Molecular weight
315.16
Exact mass
314.0225
XLogP
3.94
TPSA
65.22
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
74.33

Supplementary Information

InChIKey: UAVNKVMKFJZPEJ-UHFFFAOYSA-N
Synonyme
SCHEMBL9592854UAVNKVMKFJZPEJ-UHFFFAOYSA-N3-propylcarbonyl-5-[(2,4-dichlorophenoxy)methyl]-1,2,4-oxadiazole
Quelle anzeigen →
An 2 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→