Nombre: 4-[2-hydroxy-1,1-dimethyl-3-(4-pyrimidinyl)-2-propenyloxy]benzonitrile
SMILES:
CC(C)(Oc1ccc(C#N)cc1)C(O)=Cc1ccncn1Molecular Processing
Molecular formula
C16H15N3O2
Molecular weight
281.31
Exact mass
281.1164
XLogP
3.1
TPSA
79.03
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
78.5
Supplementary Information
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