SMILES:
CC(=O)c1ccc(C2(C#N)CCC2)cc1Molecular Processing
Molecular formula
C13H13NO
Molecular weight
199.25
Exact mass
199.0997
XLogP
2.83
TPSA
40.86
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
57.59
Supplementary Information
Details werden geladen…
An 3 Reaktionen beteiligt→