CCCCCCCCCCCC(CC(=O)OC1C(NC(=O)OCC(Cl)(Cl)Cl)C(Br)OC(COC(=O)OC(C)(C)C(Cl)(Cl)Cl)C1OP(=O)(Oc1ccccc1)Oc1ccccc1)OC(=O)CCCCCCCCC
SMILES: CCCCCCCCCCCC(CC(=O)OC1C(NC(=O)OCC(Cl)(Cl)Cl)C(Br)OC(COC(=O)OC(C)(C)C(Cl)(Cl)Cl)C1OP(=O)(Oc1ccccc1)Oc1ccccc1)OC(=O)CCCCCCCCC

Molecular Processing

Molecular formula
C50H71BrCl6NO14P
Molecular weight
1233.71
Exact mass
1229.1927
XLogP
15.8
TPSA
180.45
H-bond donors
1
H-bond acceptors
14
Rotatable bonds
33
Heavy atoms
73
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
23
Covalent units
1
Fraction Csp3
0.68
Molar refractivity
288.4

Supplementary Information

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