الاسم: 1-(4-Bromo-phenyl)-5-(2-chloro-phenyl)-3-[di-(trifluoromethyl)-hydroxy-methyl]-4,5-dihydro-1H-pyrazole
SMILES:
OC(C1=NN(c2ccc(Br)cc2)C(c2ccccc2Cl)C1)(C(F)(F)F)C(F)(F)FMolecular Processing
Molecular formula
C18H12BrClF6N2O
Molecular weight
501.65
Exact mass
499.9726
XLogP
6.27
TPSA
35.83
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
99.93
Supplementary Information
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