SMILES:
O=S1CCN(c2nc(Cl)nc3c(OCc4ccccc4)ncnc23)CC1Molecular Processing
Molecular formula
C17H16ClN5O2S
Molecular weight
389.87
Exact mass
389.0713
XLogP
2.22
TPSA
81.1
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
101
Supplementary Information
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