名称: 4,5,6,7-tetrahydro-7-oxobenzo[b]thien-4-ylisocyanide
SMILES:
[C-]#[N+]C1CCC(=O)c2sccc21Molecular Processing
Molecular formula
C9H7NOS
Molecular weight
177.23
Exact mass
177.0248
XLogP
2.68
TPSA
21.43
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
47.23
Supplementary Information
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