SMILES:
C=C1COc2ccc(C(=O)OC)cc2C(CC)(S(=O)(=O)c2ccccc2)C1Molecular Processing
Molecular formula
C21H22O5S
Molecular weight
386.47
Exact mass
386.1188
XLogP
3.89
TPSA
69.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
102.63
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→