CC(=O)OC1C(=O)N(CCOCc2cc(Br)ccc2Nc2ccc(C(=O)c3ccccc3C)c(Cl)c2)C(=O)C1OC(C)=O
SMILES: CC(=O)OC1C(=O)N(CCOCc2cc(Br)ccc2Nc2ccc(C(=O)c3ccccc3C)c(Cl)c2)C(=O)C1OC(C)=O

Molecular Processing

Molecular formula
C31H28BrClN2O8
Molecular weight
671.93
Exact mass
670.0718
XLogP
5.13
TPSA
128.31
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
11
Heavy atoms
43
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.258
Molar refractivity
160.97

Supplementary Information

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