SMILES:
COc1cccc(-c2cc3ncnc(Nc4ccc5[nH]ccc5c4)c3s2)c1Molecular Processing
Molecular formula
C21H16N4OS
Molecular weight
372.45
Exact mass
372.1045
XLogP
5.59
TPSA
62.83
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
27
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.048
Molar refractivity
110.98
Supplementary Information
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