SMILES:
CCc1cc(C#N)ccc1N=C1NC2(CCCC2)CS1Molecular Processing
Molecular formula
C16H19N3S
Molecular weight
285.42
Exact mass
285.13
XLogP
3.76
TPSA
48.18
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
84.42
Supplementary Information
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