CC(C)OP(=O)(OC(C)C)C(Br)=Cc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(F)cc1Cl
SMILES: CC(C)OP(=O)(OC(C)C)C(Br)=Cc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(F)cc1Cl

Molecular Processing

Molecular formula
C19H21BrCl2F3N2O4P
Molecular weight
580.17
Exact mass
577.9751
XLogP
7.87
TPSA
62.58
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
32
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.421
Molar refractivity
122.21

Supplementary Information

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