名称: 6-fluoro-3-iodo-5-nitro-1-trityl-1H-indazole
SMILES:
O=[N+]([O-])c1cc2c(I)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1FMolecular Processing
Molecular formula
C26H17FIN3O2
Molecular weight
549.34
Exact mass
549.035
XLogP
6.53
TPSA
60.96
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
33
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.038
Molar refractivity
133.67
Supplementary Information
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