SMILES:
O=C1C(c2ccccc2)NCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C16H15N3O5S
Molecular weight
361.38
Exact mass
361.0732
XLogP
1.46
TPSA
109.62
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
89.18
Supplementary Information
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