SMILES:
Cn1c(C#N)ccc1-c1ccc2c(c1)C1(CCC1)OC(=S)N2Molecular Processing
Molecular formula
C17H15N3OS
Molecular weight
309.39
Exact mass
309.0936
XLogP
3.67
TPSA
49.98
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
22
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
88.4
Supplementary Information
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