Name: Compound 22
SMILES:
O=C1c2c(O)cc(O)cc2OCC1c1ccc(O)cc1Molecular Processing
Molecular formula
C15H12O5
Molecular weight
272.26
Exact mass
272.0685
XLogP
2.16
TPSA
86.99
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
70.44
Supplementary Information
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