Название: dibenzo[b,e]thiepin-11(6H)-one-oxime
SMILES:
ON=C1c2ccccc2CSc2ccccc21Molecular Processing
Molecular formula
C14H11NOS
Molecular weight
241.31
Exact mass
241.0561
XLogP
3.52
TPSA
32.59
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
69.87
Supplementary Information
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