O=[N+]([O-])C1COc2cc3c(cc2C1c1ccccc1C1OCCCO1)OCO3
名称: ( 6a )
SMILES: O=[N+]([O-])C1COc2cc3c(cc2C1c1ccccc1C1OCCCO1)OCO3

Molecular Processing

Molecular formula
C20H19NO7
Molecular weight
385.37
Exact mass
385.1162
XLogP
3.02
TPSA
89.29
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
28
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
96.39

Supplementary Information

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