名称: Compound 1
SMILES:
CCOC(=O)c1cc[nH]c1NMolecular Processing
Molecular formula
C7H10N2O2
Molecular weight
154.17
Exact mass
154.0742
XLogP
0.77
TPSA
68.11
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
41.16
Supplementary Information
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