SMILES:
CC(C)C(C(=O)OCc1[nH]ccc1Cc1ccccc1)c1cc2cc(Cl)ccc2s1Molecular Processing
Molecular formula
C25H24ClNO2S
Molecular weight
437.99
Exact mass
437.1216
XLogP
6.96
TPSA
42.09
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
30
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
124.25
Supplementary Information
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