Name: 1-phenyl-5-[(tetrahydrofuran-3-ylmethyl)sulfonyl]-1H-tetrazole
SMILES:
O=S(=O)(CC1CCOC1)c1nnnn1-c1ccccc1Molecular Processing
Molecular formula
C12H14N4O3S
Molecular weight
294.34
Exact mass
294.0787
XLogP
0.47
TPSA
86.97
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
70.13
Supplementary Information
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Involved in 4 reactions→