O=[N+]([O-])c1cc(-c2ccc(OC3CCCCO3)cc2)cc2nn(C3CCCCO3)cc12
名称: 4-Nitro-2-(tetrahydro-2H-pyran-2-yl)-6-[4-(tetrahydro-2H-pyran-2-yloxy)phenyl]-2H-indazole
SMILES: O=[N+]([O-])c1cc(-c2ccc(OC3CCCCO3)cc2)cc2nn(C3CCCCO3)cc12

Molecular Processing

Molecular formula
C23H25N3O5
Molecular weight
423.47
Exact mass
423.1794
XLogP
5.22
TPSA
88.65
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
31
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
114.88

Supplementary Information

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