SMILES:
O=C(O)c1ccc(COc2ccc3cc(-c4csc(-c5ccccc5)n4)ccc3c2Br)cc1Molecular Processing
Molecular formula
C27H18BrNO3S
Molecular weight
516.42
Exact mass
515.0191
XLogP
7.67
TPSA
59.42
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
33
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.037
Molar refractivity
135.93
Supplementary Information
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