SMILES:
CC(C)(C)c1cc(C2=NOC(CN=C=S)C2)cc(Cl)c1OMolecular Processing
Molecular formula
C15H17ClN2O2S
Molecular weight
324.83
Exact mass
324.0699
XLogP
3.94
TPSA
54.18
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
87.74
Supplementary Information
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