Name: 1-(4-bromophenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
SMILES:
FC(F)(F)c1nn(-c2ccc(Br)cc2)c2c1CCCC2Molecular Processing
Molecular formula
C14H12BrF3N2
Molecular weight
345.16
Exact mass
344.0136
XLogP
4.53
TPSA
17.82
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
72.91
Supplementary Information
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