Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)/N=c2\sccn2COP(=O)(O)O)cc1C#N
SMILES: Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)/N=c2\sccn2COP(=O)(O)O)cc1C#N

Molecular Processing

Molecular formula
C21H17ClN5O7PS2
Molecular weight
581.96
Exact mass
580.9996
XLogP
3.62
TPSA
169.03
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
37
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.095
Molar refractivity
133.07

Supplementary Information

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