SMILES:
O=C(NCc1ccccn1)c1cccnc1SCCCc1ccc(F)cc1Molecular Processing
Molecular formula
C21H20FN3OS
Molecular weight
381.48
Exact mass
381.1311
XLogP
4.27
TPSA
54.88
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
105.09
Supplementary Information
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