Name: 6-ethyl-2,3-dihydro-4H-1-benzothiopyran-4-one
SMILES:
CCc1ccc2c(c1)C(=O)CCS2Molecular Processing
Molecular formula
C11H12OS
Molecular weight
192.28
Exact mass
192.0609
XLogP
2.93
TPSA
17.07
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
55.49
Supplementary Information
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