Название: 2-isopropylthionicotinyl chloride
SMILES:
CC(C)Sc1ncccc1CClMolecular Processing
Molecular formula
C9H12ClNS
Molecular weight
201.72
Exact mass
201.0379
XLogP
3.32
TPSA
12.89
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
54.79
Supplementary Information
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