SMILES:
Clc1nccnc1OC1CC(Nc2nc3ccccc3s2)C1Molecular Processing
Molecular formula
C15H13ClN4OS
Molecular weight
332.82
Exact mass
332.0499
XLogP
3.76
TPSA
59.93
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
22
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
87.72
Supplementary Information
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