SMILES:
CC1c2ccsc2CCN1C(=O)c1cc2ncc(Cl)cn2n1Molecular Processing
Molecular formula
C15H13ClN4OS
Molecular weight
332.82
Exact mass
332.0499
XLogP
3.2
TPSA
50.5
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
22
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
85.47
Supplementary Information
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