CC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC(=C(C=C3F)F)F)S(=O)(=O)C
الاسم: 6-bromo-2-methyl-3-methylsulfonyl-4-(2,4,5-trifluorophenyl)quinoline
SMILES: CC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC(=C(C=C3F)F)F)S(=O)(=O)C

Molecular Processing

Molecular formula
C17H11BrF3NO2S
Molecular weight
430.25
Exact mass
428.9646
XLogP
4.79
TPSA
47.03
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
92.6

Supplementary Information

InChIKey: ITLIZMWJYYHDPI-UHFFFAOYSA-N
مرادفات
SCHEMBL3548098ITLIZMWJYYHDPI-UHFFFAOYSA-N6-Bromo-3-methanesulfonyl-2-methyl-4-(2,4,5-trifluoro-phenyl)-quinoline
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