Name: 4-(2-[1,2,3]triazol-1-yl-ethanesulfinylmethyl)-phenol
SMILES:
O=S(CCn1ccnn1)Cc1ccc(O)cc1Molecular Processing
Molecular formula
C11H13N3O2S
Molecular weight
251.31
Exact mass
251.0728
XLogP
0.93
TPSA
68.01
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
64.84
Supplementary Information
Details werden geladen…
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