Name: compound 2-112
SMILES:
CCOCOc1cc(OCOCC)c2c(c1Cl)CC(=O)C=CCCC=CCC(C)OC2=OMolecular Processing
Molecular formula
C24H31ClO7
Molecular weight
466.96
Exact mass
466.1758
XLogP
5.04
TPSA
80.29
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
32
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
121.41
Supplementary Information
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