CCCc1nc(C(C)(O)CC)c(C#N)[nH]1
名称: 5-cyano-4-(1-hydroxy-1-methylpropyl)-2-propylimidazole
SMILES: CCCc1nc(C(C)(O)CC)c(C#N)[nH]1

Molecular Processing

Molecular formula
C11H17N3O
Molecular weight
207.28
Exact mass
207.1372
XLogP
1.85
TPSA
72.7
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
57.16

Supplementary Information

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