Name: product
SMILES:
O=C1Cc2c(Cl)nc(SCc3cccc(F)c3F)nc2N1Molecular Processing
Molecular formula
C13H8ClF2N3OS
Molecular weight
327.74
Exact mass
327.0045
XLogP
3.2
TPSA
54.88
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
75.29
Supplementary Information
Details werden geladen…
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