Name: 5-bromo-2-nitro-thioxanthen-9-one
SMILES:
O=c1c2cc([N+](=O)[O-])ccc2sc2c(Br)cccc12Molecular Processing
Molecular formula
C13H6BrNO3S
Molecular weight
336.17
Exact mass
334.9252
XLogP
4.09
TPSA
60.21
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
19
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
79.96
Supplementary Information
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