SMILES:
CCC1(C)C=C(C(=O)NC)c2cc(C#N)ccc2O1Molecular Processing
Molecular formula
C15H16N2O2
Molecular weight
256.31
Exact mass
256.1212
XLogP
2.25
TPSA
62.12
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
72.52
Supplementary Information
Récupération des détails…
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