O=C(c1cc(Cl)c(Cl)c(Cl)c1Cl)N1C(=O)C2CCC(Br)C(Br)C2C1=O
SMILES: O=C(c1cc(Cl)c(Cl)c(Cl)c1Cl)N1C(=O)C2CCC(Br)C(Br)C2C1=O

Molecular Processing

Molecular formula
C15H9Br2Cl4NO3
Molecular weight
552.86
Exact mass
548.7703
XLogP
5.36
TPSA
54.45
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
25
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
104.31

Supplementary Information

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