COC1=CC(=C(C=C1)C2=C3C=CC=C(C3=NN2)C(F)(F)F)OC
Name: 3-(2,4-dimethoxyphenyl)-7-(trifluoromethyl)-2H-indazole
SMILES: COC1=CC(=C(C=C1)C2=C3C=CC=C(C3=NN2)C(F)(F)F)OC

Molecular Processing

Molecular formula
C16H13F3N2O2
Molecular weight
322.29
Exact mass
322.0929
XLogP
4.27
TPSA
47.14
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
79.64

Supplementary Information

InChIKey: XUKSJOBSGNPSNL-UHFFFAOYSA-N
Synonyme
3-(2,4-dimethoxyphenyl)-7-(trifluoromethyl)-1H-indazoleSCHEMBL1407249DTXSID90728201AKOS0251496963-(2,4-dimethoxyphenyl)-7-trifluoromethyl-1H-indazole3-(2,4-dimethoxyphenyl)-7-(trifluoro-methyl)-1H-indazole3-(2,4-dimethoxyphenyl)-7-(trifluoromethyl)-2H-indazole
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