Name: 1-[2-(4-all yloxy-benzylsulfanyl)-ethyl]-1H-[1,2,3]triazole
SMILES:
C=CCOc1ccc(CSCCn2ccnn2)cc1Molecular Processing
Molecular formula
C14H17N3OS
Molecular weight
275.38
Exact mass
275.1092
XLogP
2.78
TPSA
39.94
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
78.32
Supplementary Information
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