CCC(CCO)(c1ccc(Cl)cc1)c1c[nH]c2c(CSC)cccc12
SMILES: CCC(CCO)(c1ccc(Cl)cc1)c1c[nH]c2c(CSC)cccc12

Molecular Processing

Molecular formula
C21H24ClNOS
Molecular weight
373.95
Exact mass
373.1267
XLogP
5.76
TPSA
36.02
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
109.74

Supplementary Information

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