이름: ethyl 1,5,5-trimethyl-7-oxo-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate
SMILES:
CCOC(=O)c1nn(C)c2c1CC(C)(C)CC2=OMolecular Processing
Molecular formula
C13H18N2O3
Molecular weight
250.3
Exact mass
250.1317
XLogP
1.75
TPSA
61.19
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
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
0.615
Molar refractivity
65.6
Supplementary Information
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