SMILES:
CC1(C2CCCC2)Cc2cc(OCCCCC(=O)O)c(Cl)c(Cl)c2C1=OMolecular Processing
Molecular formula
C20H24Cl2O4
Molecular weight
399.31
Exact mass
398.1052
XLogP
5.56
TPSA
63.6
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
26
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
0.6
Molar refractivity
101.54
Supplementary Information
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