이름: 5-(6-benzyloxy-3,4-dihydronaphthalen-2-yl)-6-nitrobenzo[1,3]dioxole
SMILES:
O=[N+]([O-])c1cc2c(cc1C1=Cc3ccc(OCc4ccccc4)cc3CC1)OCO2Molecular Processing
Molecular formula
C24H19NO5
Molecular weight
401.42
Exact mass
401.1263
XLogP
5.39
TPSA
70.83
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
112.63
Supplementary Information
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