COc1cc(-c2ccc(-c3ccc(N=Nc4ccccn4)c(OC)c3)o2)ccc1N=Nc1ccccn1
SMILES: COc1cc(-c2ccc(-c3ccc(N=Nc4ccccn4)c(OC)c3)o2)ccc1N=Nc1ccccn1

Molecular Processing

Molecular formula
C28H22N6O3
Molecular weight
490.52
Exact mass
490.1753
XLogP
8.25
TPSA
106.82
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
37
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
139.51

Supplementary Information

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