SMILES:
CSc1nc(Cl)c(C#N)c(N2CCc3ccccc3CC2)n1Molecular Processing
Molecular formula
C16H15ClN4S
Molecular weight
330.84
Exact mass
330.0706
XLogP
3.33
TPSA
52.81
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
89.6
Supplementary Information
Details werden geladen…
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