이름: ethyl 6-(hydroxymethylene)-1,5,5-trimethyl-7-oxo-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate
SMILES:
CCOC(=O)c1nn(C)c2c1CC(C)(C)C(=CO)C2=OMolecular Processing
Molecular formula
C14H18N2O4
Molecular weight
278.31
Exact mass
278.1267
XLogP
1.8
TPSA
81.42
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
71.69
Supplementary Information
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