SMILES:
CCCCC[C@@H](O)c1ccc(C2=C(Cl)CC[C@@H]2CCCc2ccc(C(=O)OC)s2)cc1Molecular Processing
Molecular formula
C26H33ClO3S
Molecular weight
461.07
Exact mass
460.1839
XLogP
7.53
TPSA
46.53
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
11
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
129.64
Supplementary Information
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