SMILES:
CCOC(=O)CCCOc1cc2c(c(Cl)c1Cl)C(=O)C(C)(C1CCCC1)C2Molecular Processing
Molecular formula
C21H26Cl2O4
Molecular weight
413.34
Exact mass
412.1208
XLogP
5.65
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
27
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
105.92
Supplementary Information
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