Name: product
SMILES:
O=S(=O)(c1ccccc1)c1cc(Cl)c2oc3c(c2c1)C(CO)NCC3Molecular Processing
Molecular formula
C18H16ClNO4S
Molecular weight
377.85
Exact mass
377.0489
XLogP
3.1
TPSA
79.54
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
94.65
Supplementary Information
Details werden geladen…
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