C1CC(C1)SC2=CC=CC(=N2)CCl
名称: 2-(chloromethyl)-6-cyclobutylsulfanylpyridine
SMILES: C1CC(C1)SC2=CC=CC(=N2)CCl

Molecular Processing

Molecular formula
C10H12ClNS
Molecular weight
213.73
Exact mass
213.0379
XLogP
3.47
TPSA
12.89
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
57.29

Supplementary Information

InChIKey: DKFLFWQDNOWOOF-UHFFFAOYSA-N
同義語
SCHEMBL15668851DKFLFWQDNOWOOF-UHFFFAOYSA-N2-Chloromethyl-6-cyclobutylsulfanyl-pyridine
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