Nombre: 4-ethylthio-5-methyl-6-ethoxycarbonyl-8-chlorothiochroman
SMILES:
CCOC(=O)c1cc(Cl)c2c(c1C)C(SCC)CCS2Molecular Processing
Molecular formula
C15H19ClO2S2
Molecular weight
330.9
Exact mass
330.0515
XLogP
5.12
TPSA
26.3
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
88.36
Supplementary Information
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