Fc1cc2c(cc1Br)c(I)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1
SMILES: Fc1cc2c(cc1Br)c(I)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

Molecular Processing

Molecular formula
C26H17BrFIN2
Molecular weight
583.24
Exact mass
581.9604
XLogP
7.38
TPSA
17.82
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
31
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.038
Molar refractivity
134.71

Supplementary Information

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