Name: 1-Acetyl-3-(2-cyanoethyl)-4,6-dimethylindoline
SMILES:
CC(=O)N1CC(CCC#N)c2c(C)cc(C)cc21Molecular Processing
Molecular formula
C15H18N2O
Molecular weight
242.32
Exact mass
242.1419
XLogP
3.06
TPSA
44.1
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
71.53
Supplementary Information
Details werden geladen…
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