SMILES:
COc1c(N)c(C(N)=O)c(C)c(I)c1BrMolecular Processing
Molecular formula
C9H10BrIN2O2
Molecular weight
385
Exact mass
383.897
XLogP
2.05
TPSA
78.34
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
71.08
Supplementary Information
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