الاسم: alcohol
SMILES:
O=[N+]([O-])c1cn(CC(CO)COc2ccc(I)cc2)c(Br)n1Molecular Processing
Molecular formula
C13H13BrIN3O4
Molecular weight
482.07
Exact mass
480.9134
XLogP
2.85
TPSA
90.42
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
91.81
Supplementary Information
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