CC1(C)CC(SCc2c(C(F)(F)F)nn(-c3ccccc3)c2Cl)=NO1
名称: 3-(5-chloro-1-phenyl-3-trifluoromethyl-1H-pyrazol-4-ylmethylthio)-5,5-dimethyl-2-isoxazoline
SMILES: CC1(C)CC(SCc2c(C(F)(F)F)nn(-c3ccccc3)c2Cl)=NO1

Molecular Processing

Molecular formula
C16H15ClF3N3OS
Molecular weight
389.83
Exact mass
389.0576
XLogP
5.29
TPSA
39.41
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
92.09

Supplementary Information

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