Name: ester
SMILES:
COC(=O)c1ccc2c(c1)C(Sc1ccccc1)c1ccccc1CO2Molecular Processing
Molecular formula
C22H18O3S
Molecular weight
362.45
Exact mass
362.0977
XLogP
5.25
TPSA
35.53
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.136
Molar refractivity
102.7
Supplementary Information
Details werden geladen…
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