CCOC(=O)C1=C(c2ccc(OCCO)cc2)C[C@@H]2CN(C(C)=O)C[C@H]1N2C(=O)OC(C)(C)C(Cl)(Cl)Cl
SMILES: CCOC(=O)C1=C(c2ccc(OCCO)cc2)C[C@@H]2CN(C(C)=O)C[C@H]1N2C(=O)OC(C)(C)C(Cl)(Cl)Cl

Molecular Processing

Molecular formula
C25H31Cl3N2O7
Molecular weight
577.89
Exact mass
576.1197
XLogP
3.96
TPSA
105.61
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
37
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.56
Molar refractivity
139.71

Supplementary Information

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