名称: ethyl 1-(2-chloro-5-hydroxycarbonylphenyl)-5-cyclopropyl-1H-pyrazole-4-carboxylate
SMILES:
CCOC(=O)c1cnn(-c2cc(C(=O)O)ccc2Cl)c1C1CC1Molecular Processing
Molecular formula
C16H15ClN2O4
Molecular weight
334.76
Exact mass
334.072
XLogP
3.28
TPSA
81.42
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
83.46
Supplementary Information
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