SMILES:
CC(=O)OC1=C(C(C)=NOCc2ccc(Cl)s2)C(=O)CC(C2CCCSC2)C1Molecular Processing
Molecular formula
C20H24ClNO4S2
Molecular weight
442
Exact mass
441.0835
XLogP
5.23
TPSA
64.96
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
28
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.55
Molar refractivity
113.8
Supplementary Information
Details werden geladen…
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