COC(=O)CC1=CN(C(=O)c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C(CO)C1
SMILES: COC(=O)CC1=CN(C(=O)c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C(CO)C1

Molecular Processing

Molecular formula
C23H24N2O8
Molecular weight
456.45
Exact mass
456.1533
XLogP
2.84
TPSA
128.44
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
116.8

Supplementary Information

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