Nombre: 5-(3,4-bis-benzyloxy-5-nitro-phenyl)-2H-tetrazole
SMILES:
O=[N+]([O-])c1cc(-c2nn[nH]n2)cc(OCc2ccccc2)c1OCc1ccccc1Molecular Processing
Molecular formula
C21H17N5O4
Molecular weight
403.4
Exact mass
403.1281
XLogP
3.93
TPSA
116.06
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
30
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.095
Molar refractivity
107.82
Supplementary Information
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