Nom: 3-(2-methyl-6-methylthiophenyl)-4,5-dihydroisoxazole
SMILES:
CSc1cccc(C)c1C1=NOCC1Molecular Processing
Molecular formula
C11H13NOS
Molecular weight
207.3
Exact mass
207.0718
XLogP
2.84
TPSA
21.59
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
60.07
Supplementary Information
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