名称: Bergaptol
SMILES:
O=c1ccc2c(O)c3ccoc3cc2o1Molecular Processing
Molecular formula
C11H6O4
Molecular weight
202.16
Exact mass
202.0266
XLogP
2.24
TPSA
63.58
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
15
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
53.92
Supplementary Information
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