SMILES:
Brc1ccc(I)cc1Cc1ccc2c(c1)CCCO2Molecular Processing
Molecular formula
C16H14BrIO
Molecular weight
429.1
Exact mass
427.9273
XLogP
4.97
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
89.92
Supplementary Information
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