SMILES:
Nc1ncnc2c1nc(Sc1cc3c(cc1Br)OCO3)n2CC(c1ccccc1)C1CCCC1Molecular Processing
Molecular formula
C25H24BrN5O2S
Molecular weight
538.47
Exact mass
537.0834
XLogP
6.02
TPSA
88.08
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
34
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
135.26
Supplementary Information
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