SMILES:
Clc1cc2c(NCc3ccc4c(c3)OCO4)nc(-n3cncn3)nc2s1Molecular Processing
Molecular formula
C16H11ClN6O2S
Molecular weight
386.82
Exact mass
386.0353
XLogP
3.27
TPSA
86.98
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
26
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
97.23
Supplementary Information
Récupération des détails…
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