COc1cc2c(cc1Br)Cc1c([nH]c3cc(Br)ccc13)C2(C)C.COc1cc2c(cc1Br)Cc1c([nH]c3cccc(Br)c13)C2(C)C
SMILES: COc1cc2c(cc1Br)Cc1c([nH]c3cc(Br)ccc13)C2(C)C.COc1cc2c(cc1Br)Cc1c([nH]c3cccc(Br)c13)C2(C)C

Molecular Processing

Molecular formula
C38H34Br4N2O2
Molecular weight
870.32
Exact mass
865.9354
XLogP
11.86
TPSA
50.04
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
46
Rings
8
Aromatic rings
6
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.263
Molar refractivity
203.25

Supplementary Information

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