Name: 1-amino-2-nitro-4-benzylsulfinylbenzene
SMILES:
Nc1ccc(S(=O)Cc2ccccc2)cc1[N+](=O)[O-]Molecular Processing
Molecular formula
C13H12N2O3S
Molecular weight
276.32
Exact mass
276.0569
XLogP
2.48
TPSA
86.23
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
74.06
Supplementary Information
Details werden geladen…
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