Name: residue
SMILES:
CSCOc1cccc2c1CC(NC(C)=O)C2=OMolecular Processing
Molecular formula
C13H15NO3S
Molecular weight
265.33
Exact mass
265.0773
XLogP
1.63
TPSA
55.4
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
71.09
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→