이름: 5-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazole-4-carbonitrile
SMILES:
CCOCC1=NC(=C(N1CC(C)(C)O)N)C#NMolecular Processing
Molecular formula
C11H18N4O2
Molecular weight
238.29
Exact mass
238.143
XLogP
0.64
TPSA
97.09
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
17
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
0.636
Molar refractivity
62.98
Supplementary Information
InChIKey: UQDJRFOHDOKRJT-UHFFFAOYSA-N
동의어
SCHEMBL17181416UQDJRFOHDOKRJT-UHFFFAOYSA-N5-Amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)-1H-imidazole-4-carbonitrile
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