SMILES:
O=C(NCCCS)c1ccccc1Molecular Processing
Molecular formula
C10H13NOS
Molecular weight
195.29
Exact mass
195.0718
XLogP
1.74
TPSA
29.1
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
13
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
0.3
Molar refractivity
57.25
Supplementary Information
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