SMILES:
N#CCCCSCc1ccco1Molecular Processing
Molecular formula
C9H11NOS
Molecular weight
181.26
Exact mass
181.0561
XLogP
2.82
TPSA
36.93
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
49.72
Supplementary Information
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