SMILES:
N#CC(NCc1ccccc1)C1C=[SH]C(=O)N1Cc1ccccc1Molecular Processing
Molecular formula
C19H19N3OS
Molecular weight
337.45
Exact mass
337.1249
XLogP
2.94
TPSA
56.13
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
98.9
Supplementary Information
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