名称: 7-acetoxy-3′-methoxyisoflav-3-ene
SMILES:
COc1cccc(C2=Cc3ccc(OC(C)=O)cc3OC2)c1Molecular Processing
Molecular formula
C18H16O4
Molecular weight
296.32
Exact mass
296.1049
XLogP
3.55
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
84.11
Supplementary Information
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