SMILES:
CCCC(C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccco1)CCC3Molecular Processing
Molecular formula
C20H21NO3S
Molecular weight
355.46
Exact mass
355.1242
XLogP
5.32
TPSA
63.33
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
25
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
0.4
Molar refractivity
99.37
Supplementary Information
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