이름: (3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-(3,5-dimethoxy-phenyl)-methanone
SMILES:
COc1cc(OC)cc(C(=O)c2ccc3c(c2)OCCCO3)c1Molecular Processing
Molecular formula
C18H18O5
Molecular weight
314.34
Exact mass
314.1154
XLogP
3.1
TPSA
53.99
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
85.03
Supplementary Information
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