Name: 3-(4-nitrophenyl)propyl p-toluenesulfonate
SMILES:
Cc1ccc(S(=O)(=O)OCCCc2ccc([N+](=O)[O-])cc2)cc1Molecular Processing
Molecular formula
C16H17NO5S
Molecular weight
335.38
Exact mass
335.0827
XLogP
3.24
TPSA
86.51
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
85.73
Supplementary Information
Details werden geladen…
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