SMILES:
Nc1ncnc2[nH]c(Sc3cc4c(cc3Br)OCO4)nc12Molecular Processing
Molecular formula
C12H8BrN5O2S
Molecular weight
366.2
Exact mass
364.9582
XLogP
2.58
TPSA
98.94
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
21
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
80.48
Supplementary Information
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