SMILES:
CN1CCN(C2CCC(n3nc(-c4ccc(OS(=O)(=O)c5cccc(Cl)c5Cl)cc4)c4c(N)ncnc43)CC2)CC1Molecular Processing
Molecular formula
C28H31Cl2N7O3S
Molecular weight
616.57
Exact mass
615.1586
XLogP
4.88
TPSA
119.47
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
41
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.393
Molar refractivity
159.81
Supplementary Information
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