이름: 1-(2-((S)-tetrahydrofuran-3-yloxy)-5-aminophenyl)-4-methyl-1H-tetrazol-5(4H)-one
SMILES:
Cn1nnn(-c2cc(N)ccc2O[C@H]2CCOC2)c1=OMolecular Processing
Molecular formula
C12H15N5O3
Molecular weight
277.28
Exact mass
277.1175
XLogP
-0.28
TPSA
97.19
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
70.86
Supplementary Information
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