Название: ethyl 3-chloro-1-(pyridin-3-yl)-4,5-dihydro-1H-pyrazole-5-carboxylate
SMILES:
CCOC(=O)C1CC(Cl)=NN1c1cccnc1Molecular Processing
Molecular formula
C11H12ClN3O2
Molecular weight
253.69
Exact mass
253.0618
XLogP
1.78
TPSA
54.79
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
65.04
Supplementary Information
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