Nombre: 3-(3,3-dimethyl-1-oxo-isochroman-4-yl)-3H-imidazole-4-carbonitrile
SMILES:
CC1(C)OC(=O)c2ccccc2C1n1cncc1C#NMolecular Processing
Molecular formula
C15H13N3O2
Molecular weight
267.29
Exact mass
267.1008
XLogP
2.29
TPSA
67.91
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
71.02
Supplementary Information
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