Название: 4-cyano-5-ethoxymethyleneamino-3-aminoisoxazole
SMILES:
CCOC=Nc1onc(N)c1C#NMolecular Processing
Molecular formula
C7H8N4O2
Molecular weight
180.17
Exact mass
180.0647
XLogP
0.82
TPSA
97.43
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
45.41
Supplementary Information
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