名称: bromide
SMILES:
Brc1cnc2[nH]cc(-c3cnco3)c2c1Molecular Processing
Molecular formula
C10H6BrN3O
Molecular weight
264.08
Exact mass
262.9694
XLogP
2.98
TPSA
54.71
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
15
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
59.29
Supplementary Information
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