名称: 1-[2,6-dichloro-4-(4-trifluoromethylphenyl)phenyl]-3-cyano-5-aminopyrazole
SMILES:
N#Cc1cc(N)n(-c2c(Cl)cc(-c3ccc(C(F)(F)F)cc3)cc2Cl)n1Molecular Processing
Molecular formula
C17H9Cl2F3N4
Molecular weight
397.19
Exact mass
396.0156
XLogP
5.32
TPSA
67.63
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.059
Molar refractivity
93.15
Supplementary Information
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