SMILES:
N#Cc1ccc2c(c1)SCCCC2=OMolecular Processing
Molecular formula
C11H9NOS
Molecular weight
203.27
Exact mass
203.0405
XLogP
2.63
TPSA
40.86
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
55.45
Supplementary Information
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