C1=CC=C2C(=C1)C=C(N=C2Cl)C3=CC=CC=C3C(F)(F)F
Name: 1-chloro-3-[2-(trifluoromethyl)phenyl]isoquinoline
SMILES: C1=CC=C2C(=C1)C=C(N=C2Cl)C3=CC=CC=C3C(F)(F)F

Molecular Processing

Molecular formula
C16H9ClF3N
Molecular weight
307.7
Exact mass
307.0376
XLogP
5.57
TPSA
12.89
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.062
Molar refractivity
77.19

Supplementary Information

InChIKey: WRKDHGSEIKMXFD-UHFFFAOYSA-N
Synonyme
1-chloro-3-(2-trifluoromethyl-phenyl)-isoquinolineSCHEMBL786476
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