SMILES:
CCCC(C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccc(Cl)cc1)CCCC3Molecular Processing
Molecular formula
C23H24ClNO2S
Molecular weight
413.97
Exact mass
413.1216
XLogP
6.77
TPSA
50.19
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
116.73
Supplementary Information
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