CCC(Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1
名称: secondary amine
SMILES: CCC(Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1

Molecular Processing

Molecular formula
C19H24N6O4
Molecular weight
400.44
Exact mass
400.1859
XLogP
0.58
TPSA
151.57
H-bond donors
5
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.421
Molar refractivity
105.84

Supplementary Information

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