SMILES:
O=C(Cn1c(-c2ccc(Cl)cc2)nc2cccnc21)N1CCSC1Molecular Processing
Molecular formula
C17H15ClN4OS
Molecular weight
358.85
Exact mass
358.0655
XLogP
3.28
TPSA
51.02
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
24
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
0.235
Molar refractivity
97.01
Supplementary Information
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