CC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC=C(C=C3)Cl)S(=O)(=O)C
이름: 6-bromo-4-(4-chlorophenyl)-2-methyl-3-methylsulfonylquinoline
SMILES: CC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC=C(C=C3)Cl)S(=O)(=O)C

Molecular Processing

Molecular formula
C17H13BrClNO2S
Molecular weight
410.72
Exact mass
408.9539
XLogP
5.03
TPSA
47.03
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
97.74

Supplementary Information

InChIKey: JHSDVADVGOKROS-UHFFFAOYSA-N
동의어
SCHEMBL3544706JHSDVADVGOKROS-UHFFFAOYSA-N6-Bromo-4-(4-chloro-phenyl)-3-methanesulfonyl-2-methyl-quinoline
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