SMILES:
CCCC(C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccc(Cl)c(Cl)c1)CCCC3Molecular Processing
Molecular formula
C23H23Cl2NO2S
Molecular weight
448.42
Exact mass
447.0827
XLogP
7.43
TPSA
50.19
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
121.74
Supplementary Information
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