이름: 3-Chloro-1-(pyridine-3-yl)-4,5-dihydro-1H-pyrazole-5-carbonitrile
SMILES:
N#CC1CC(Cl)=NN1c1cccnc1Molecular Processing
Molecular formula
C9H7ClN4
Molecular weight
206.64
Exact mass
206.0359
XLogP
1.74
TPSA
52.28
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
54.02
Supplementary Information
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