O=C(O)COCCOc1c(-c2cccc(Cl)c2)cc(C(=O)NCCCCCCCCn2ccc3ccccc32)cc1-c1cccc(Cl)c1
SMILES: O=C(O)COCCOc1c(-c2cccc(Cl)c2)cc(C(=O)NCCCCCCCCn2ccc3ccccc32)cc1-c1cccc(Cl)c1

Molecular Processing

Molecular formula
C39H40Cl2N2O5
Molecular weight
687.66
Exact mass
686.2314
XLogP
9.53
TPSA
89.79
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
18
Heavy atoms
48
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.282
Molar refractivity
193.26

Supplementary Information

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