이름: 6-ethyl-3-hydroxyimino-2,3-dihydro-4H-1-benzothiopyran-4-one
SMILES:
CCc1ccc2c(c1)C(=O)C(=NO)CS2Molecular Processing
Molecular formula
C11H11NO2S
Molecular weight
221.28
Exact mass
221.051
XLogP
2.37
TPSA
49.66
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
60.1
Supplementary Information
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