Название: 5-(5-amino-3-tert-butyl-pyrazol-1-yl)-2-chloro-phenol
SMILES:
CC(C)(C)c1cc(N)n(-c2ccc(Cl)c(O)c2)n1Molecular Processing
Molecular formula
C13H16ClN3O
Molecular weight
265.74
Exact mass
265.0982
XLogP
3.11
TPSA
64.07
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
73.35
Supplementary Information
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