SMILES:
CCC1(C)Oc2ccc(C#N)cc2C(C(=S)NC)C1OMolecular Processing
Molecular formula
C15H18N2O2S
Molecular weight
290.39
Exact mass
290.1089
XLogP
2.11
TPSA
65.28
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
80.89
Supplementary Information
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