Name: intermediate ( 23 )
SMILES:
COc1ccc2c(c1)CC(C#N)N2C(C)=OMolecular Processing
Molecular formula
C12H12N2O2
Molecular weight
216.24
Exact mass
216.0899
XLogP
1.5
TPSA
53.33
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
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
59.26
Supplementary Information
Details werden geladen…
An 8 Reaktionen beteiligt→