SMILES:
CCOC(=S)C1=CNCCc2c1[nH]c1ccccc21Molecular Processing
Molecular formula
C15H16N2OS
Molecular weight
272.37
Exact mass
272.0983
XLogP
3.02
TPSA
37.05
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
82.21
Supplementary Information
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