Name: 5-(2-furyl)-4H-pyrazole-3-carboxylic acid
SMILES:
O=C(O)C1=NN=C(c2ccco2)C1Molecular Processing
Molecular formula
C8H6N2O3
Molecular weight
178.15
Exact mass
178.0378
XLogP
0.91
TPSA
75.16
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
44.93
Supplementary Information
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