SMILES:
CCCCn1c(C)c(C(C)=O)s/c1=N\C(=O)c1cc(Cl)ccc1OCMolecular Processing
Molecular formula
C18H21ClN2O3S
Molecular weight
380.9
Exact mass
380.0961
XLogP
4.26
TPSA
60.66
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
99.86
Supplementary Information
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